data_1adz_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 1adz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.579 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.742 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.742 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 3.6 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.543 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.553 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.517 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.797 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.567 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.713 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.713 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.419 -0.8 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.527 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 . . . . . 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 HD13 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.732 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.73 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.73 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.328 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.732 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.59 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.566 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.8 p30 . . . . . 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.346 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.66 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB2' ' HG3' ' A' ' 29' ' ' ARG . 2.0 t80 . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.593 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 . . . . . 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG2' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.354 -0.831 . . . . 1.0 109.33 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.423 HG22 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.754 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.596 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 11.4 p-10 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 t-20 -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' HB2' ' A' ' 60' ' ' CYS . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.626 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.8 p30 . . . . . 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.376 -0.821 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.224 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.428 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.3 t80 . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.224 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' CYS . 6.3 p-10 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.25 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.494 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.25 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 . . . . . 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.419 -0.801 . . . . 1.0 109.264 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.001 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.815 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.815 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 21.1 p30 . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.418 -0.801 . . . . 1.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.741 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.001 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 . . . . . 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.353 -0.832 . . . . 1.0 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.694 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.617 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.694 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CB ' ' HG3' ' A' ' 29' ' ' ARG . 1.3 t80 . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.423 -0.799 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.598 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.391 -0.814 . . . . 1.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.782 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.636 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.636 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' ILE . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.683 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE1' ' CD1' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 . . . . . 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.631 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.497 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 . . . . . 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.374 -0.822 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.504 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.504 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.665 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.421 -0.8 . . . . 1.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.509 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.555 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 3.9 t-20 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.518 0 CA-C-O 118.397 -0.811 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.658 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.487 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.669 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.669 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.487 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 6.1 p-10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.435 -0.793 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.41 -0.805 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.695 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' OE2' ' OG1' ' A' ' 36' ' ' THR . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 . . . . . 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.618 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.525 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.375 -0.822 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD23 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ARG . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.621 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.696 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.696 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 . . . . . 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' ND2' HD23 ' A' ' 16' ' ' LEU . 27.4 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.481 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.446 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.538 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 21' ' ' GLY . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.583 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.777 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.777 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 6.3 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.434 -0.793 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.51 ' HE1' ' CD2' ' A' ' 13' ' ' PHE . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.559 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.304 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.659 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.535 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 . . . . . 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.504 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 29.5 p-10 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.653 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 63' ' ' ILE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 . . . . . 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.421 -0.799 . . . . 1.0 109.339 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 HD23 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.566 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.463 -0.779 . . . . 1.0 109.259 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.413 -0.803 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.666 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.253 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.699 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 1.4 t80 . . . . . 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.699 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 39' ' ' CYS . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.253 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.338 -0.839 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.635 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.717 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 . . . . . 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 48.8 p30 . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.441 -0.79 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.607 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.652 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 1.1 t30 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.3 t80 . . . . . 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.437 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.451 -0.785 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.556 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.588 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.625 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 53' ' ' ASN . 4.8 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.361 -0.828 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t30 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.365 -0.826 . . . . 1.0 109.292 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' N ' HD23 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' ILE . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.541 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG2' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.592 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.315 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.555 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.355 -0.831 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.985 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.545 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.747 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' HD11 ' A' ' 27' ' ' ILE . 1.8 t80 . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.38 -0.819 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.985 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.286 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.591 ' O ' ' C ' ' A' ' 24' ' ' ARG . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.626 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.721 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.596 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.721 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.447 -0.787 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.478 ' HE1' ' CG ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 . . . . . 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.538 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.741 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 . . . . . 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.412 -0.804 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 9.1 t30 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.627 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.536 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 65.63 -152.08 0.25 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 177.93 6.21 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.015 1.447 . . . . 1.0 109.292 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.61 76.23 0.42 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.016 1.448 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 25.3 m-20 -62.84 178.6 0.44 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 1.6 m-20 82.12 -58.69 0.21 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LYS . 15.7 t0 -73.77 61.15 0.74 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.951 1.407 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 35.27 45.83 0.22 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 36.59 80.84 0.03 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.997 1.436 . . . . 1.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -109.95 149.45 40.03 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.994 1.433 . . . . 1.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.579 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.742 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.742 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 3.6 t80 -133.67 125.91 29.66 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 23' ' ' CYS . . . -73.84 -67.74 1.72 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 135.46 -108.08 0.67 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.626 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.8 p -10.08 -97.17 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.969 1.04 . . . . 1.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' GLY . 4.2 tp -61.28 -132.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.69 -152.67 17.18 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.263 -1.535 . . . . 1.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 -151.77 -155.07 0.58 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.058 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.543 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 38.35 73.64 0.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.31 -68.08 1.78 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.2 Cg_endo -73.55 64.54 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.487 2.792 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER 42.84 -88.35 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.055 1.472 . . . . 1.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -64.56 -127.06 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CG ' ' C ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.965 1.038 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.28 63.22 6.36 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.052 1.47 . . . . 1.0 109.313 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.79 -43.68 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.986 1.429 . . . . 1.0 109.328 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 13.3 t0 -124.23 147.51 48.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 14.6 t0 92.89 -26.24 0.04 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.53 -72.28 0.09 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 1.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -174.1 154.96 2.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.9 mmmp? -112.6 28.9 8.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LYS . 1.5 pp 33.19 36.76 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -133.27 157.33 78.47 Favored Pre-proline 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 48' ' ' LEU . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -158.7 -112.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 142.26 -69.8 0.43 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.45 -81.95 0.35 Allowed Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.633 ' C ' ' O ' ' A' ' 46' ' ' GLY . 5.3 m -9.7 -69.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.061 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -121.06 -163.65 1.05 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.044 1.465 . . . . 1.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.33 -147.03 19.0 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 -145.87 -157.37 0.79 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.047 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.53 175.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.05 -167.0 39.54 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.41 54.95 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.495 2.797 . . . . 1.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -27.06 15.7 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.46 41.63 1.03 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 66' ' ' ASP . 4.0 m-85 . . . . . 0 C--N 1.345 0.398 0 O-C-N 124.984 1.049 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 118.407 -0.806 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.56 100.33 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.031 1.457 . . . . 1.0 109.313 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -88.81 -28.6 20.33 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.972 1.42 . . . . 1.0 109.328 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -157.08 164.12 38.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.08 90.36 4.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.982 1.427 . . . . 1.0 109.25 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -119.5 142.75 48.02 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 1.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.4 130.97 20.49 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -50.22 -34.76 23.97 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.997 1.436 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 4.2 mt -141.32 -118.38 0.11 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.975 1.422 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 156.61 78.17 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.997 1.436 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.517 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.797 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -104.7 104.91 14.79 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.44 3.89 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.284 -1.526 . . . . 1.0 109.284 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' CYS . . . 125.9 -37.81 2.4 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.123 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 66.1 m -51.73 -176.48 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.039 1.082 . . . . 1.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.0 -21.37 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.027 1.454 . . . . 1.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . 31.23 -102.41 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 -172.09 -157.51 0.11 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.059 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.567 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.32 163.88 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' PHE . . . -161.21 -176.01 32.85 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.18 -38.3 1.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.519 2.813 . . . . 1.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -55.1 27.39 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 1.0 109.371 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.66 -39.6 7.59 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.993 1.055 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 2' ' ' TYR . 2.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 1' ' ' ASP . 47.7 m-85 -151.97 -72.78 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.306 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 68.27 -98.47 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 1.0 109.339 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 5.4 t0 -154.18 31.01 0.44 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.029 1.456 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 86.35 15.73 0.12 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.021 1.451 . . . . 1.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -158.37 0.12 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.86 137.38 26.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.989 1.431 . . . . 1.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -48.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.981 1.425 . . . . 1.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.66 -8.93 46.84 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.22 148.02 1.17 Allowed Pre-proline 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' O ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.713 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.713 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -153.83 -99.09 0.04 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 134.86 -60.12 0.65 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.269 -1.533 . . . . 1.0 109.269 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 92.82 70.77 1.16 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.7 p -171.04 83.03 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.983 1.049 . . . . 1.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 71.36 -56.35 0.63 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.352 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . 25.5 -110.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 -171.11 -154.42 0.1 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.073 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' OD1' ' CZ ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.527 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 47.42 64.63 1.52 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' CD2' ' A' ' 71' ' ' PHE . . . -36.23 150.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -71.53 160.17 49.17 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.555 2.837 . . . . 1.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.55 92.32 0.01 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.929 1.393 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.15 -50.49 0.86 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' OD1' ' A' ' 62' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 124.954 1.032 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.436 -0.792 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -48.96 161.55 0.14 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 1.0 109.33 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.41 27.81 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.048 1.468 . . . . 1.0 109.298 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 164.18 -76.61 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.063 1.477 . . . . 1.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 p30 163.49 176.33 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.052 1.47 . . . . 1.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -37.11 147.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.006 1.441 . . . . 1.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -176.56 -83.4 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.941 1.401 . . . . 1.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? 172.2 100.04 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.025 1.453 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD11 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.88 -6.16 39.75 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.989 1.431 . . . . 1.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 87.24 146.9 0.07 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 HD13 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.732 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.73 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.73 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.544 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -109.66 -91.71 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.548 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 130.42 -61.49 0.66 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.544 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 74.94 100.12 0.1 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.56 -42.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.094 . . . . 1.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp -170.5 36.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 -157.69 18.64 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -133.99 -177.99 4.82 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.051 . . . . 1.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.732 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.59 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.566 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.8 p30 53.55 -166.16 0.08 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . -118.88 169.15 13.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.84 120.66 7.23 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.516 2.811 . . . . 1.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 55.54 63.07 2.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.965 1.415 . . . . 1.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.98 -112.91 4.2 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CE2' ' C ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.988 1.052 . . . . 1.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 2.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' CE2' ' OD2' ' A' ' 1' ' ' ASP . 1.9 m-85 -131.18 135.7 47.65 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.976 1.422 . . . . 1.0 109.277 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 tptm 65.22 137.46 0.02 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 179.3 -169.29 0.11 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.036 1.46 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 5.7 m-20 -130.04 151.29 50.74 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 3.3 m-20 79.47 92.33 0.05 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.426 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 4.6 t0 84.41 -179.54 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.9 0.2 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.031 1.457 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.11 -149.64 0.04 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 65.47 142.88 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.036 1.46 . . . . 1.0 109.346 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.66 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 2.0 t80 -94.77 122.24 37.18 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 20' ' ' PRO . . . -64.09 -56.91 15.52 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 133.07 -110.69 0.93 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' C ' ' O ' ' A' ' 46' ' ' GLY . 12.6 m -8.48 113.27 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.987 1.051 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 38.07 -113.13 0.11 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.404 . . . . 1.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.28 -111.1 2.51 Favored Glycine 0 C--N 1.346 1.083 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 -159.92 -156.18 0.48 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.026 1.074 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 49.13 26.16 1.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . -36.26 -85.26 0.01 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.339 -1.504 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 153.04 42.48 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.539 2.826 . . . . 1.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.5 p-10 -59.0 100.22 0.06 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.945 1.403 . . . . 1.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.97 -81.05 0.03 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.391 0 O-C-N 124.961 1.036 . . . . 1.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.61 121.44 45.32 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.964 1.415 . . . . 1.0 109.325 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 70.46 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.321 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -176.87 130.61 0.18 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.55 -32.51 22.11 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.29 96.21 9.45 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.74 -72.67 0.68 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.433 . . . . 1.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 33.97 -99.78 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.019 1.449 . . . . 1.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 170.68 158.54 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.453 . . . . 1.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HE3' ' CB ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -174.84 161.5 2.47 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.982 1.427 . . . . 1.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 48' ' ' LEU . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.423 HG22 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.754 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.596 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.588 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -127.66 -105.07 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . 139.96 -71.13 0.44 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.67 -129.77 6.98 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -7.57 111.3 0.01 OUTLIER 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.045 1.086 . . . . 1.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 47' ' ' CYS . 3.4 tm? 59.23 131.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.93 -117.81 0.51 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 11.4 p-10 -171.17 -155.95 0.11 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.065 . . . . 1.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 t-20 -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' HB2' ' A' ' 60' ' ' CYS . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.626 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 4.8 p30 45.74 -173.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.463 ' N ' ' HD2' ' A' ' 68' ' ' PRO . . . -80.52 -72.06 1.24 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 67' ' ' GLY . 18.4 Cg_endo -51.55 -87.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.485 2.79 . . . . 1.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.478 ' CB ' ' HE3' ' A' ' 10' ' ' LYS . 2.6 m120 -62.59 74.3 0.02 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.002 1.438 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 128.0 -154.17 19.7 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 1.3 m-30 . . . . . 0 C--N 1.344 0.369 0 O-C-N 124.959 1.035 . . . . 1.0 109.272 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 3' ' ' LYS . 6.4 t0 . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.402 -0.809 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 0.8 OUTLIER 65.06 -77.23 0.04 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.032 1.457 . . . . 1.0 109.281 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 177.89 -170.2 0.09 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.962 1.414 . . . . 1.0 109.282 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' LYS . 9.5 t70 -36.44 150.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.03 1.456 . . . . 1.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 7' ' ' ASP . 86.2 m-20 -124.21 76.3 1.46 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 1.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 51.48 -86.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.407 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 50.44 -87.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 1.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER 73.31 125.16 0.04 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.74 28.2 16.42 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -131.59 139.45 35.29 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 125.026 1.454 . . . . 1.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.224 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.596 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 9.3 t80 -127.67 98.8 5.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -59.74 -18.07 44.45 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 43.99 85.95 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.8 m -168.18 -44.18 0.02 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.052 1.089 . . . . 1.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.99 29.98 0.21 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.3 -139.73 0.04 OUTLIER Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 -147.43 -159.35 1.02 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.992 1.054 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.224 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' CYS . 6.3 p-10 47.46 96.06 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.3 -145.07 18.36 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.47 -42.15 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -48.29 175.32 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.22 -78.13 0.04 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.337 -1.505 . . . . 1.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.42 0 O-C-N 124.934 1.02 . . . . 1.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.449 -0.786 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.54 139.59 0.14 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.959 1.412 . . . . 1.0 109.315 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -98.53 127.64 44.54 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.445 . . . . 1.0 109.291 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.4 -83.38 0.03 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.968 1.417 . . . . 1.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 47.0 m-20 46.55 27.42 0.63 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER 67.95 -63.41 0.32 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.988 1.43 . . . . 1.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 44.36 -167.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -98.58 0.31 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.961 1.413 . . . . 1.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -160.73 -131.8 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.458 . . . . 1.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -127.62 140.74 38.89 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.25 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.585 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -120.36 -106.9 0.37 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 44' ' ' TYR . . . 139.24 -67.19 0.51 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.321 -1.511 . . . . 1.0 109.321 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.585 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 127.55 -61.67 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.259 -1.536 . . . . 1.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 79.4 m -27.01 95.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.015 1.068 . . . . 1.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.616 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER 11.49 98.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.99 1.431 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -147.96 18.13 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.342 -1.503 . . . . 1.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.494 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 -101.15 -157.71 0.63 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.001 1.059 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.25 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 49.44 99.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.32 -70.22 1.24 Allowed Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -75.35 80.27 2.55 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.56 2.84 . . . . 1.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 68' ' ' PRO . 8.2 p-10 38.79 -163.35 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 1.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.548 ' O ' ' CD2' ' A' ' 71' ' ' PHE . . . -34.12 -35.27 0.04 OUTLIER Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.026 1.074 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.449 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER 77.52 27.67 0.62 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.479 . . . . 1.0 109.3 -179.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 46.69 1.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.332 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -167.63 -83.65 0.02 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.005 1.441 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -162.89 -62.61 0.04 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.6 177.68 0.02 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 1.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 48.79 -176.36 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.462 . . . . 1.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 89.63 27.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 1.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mt 40.76 91.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 148.83 39.93 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.001 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 49' ' ' GLY . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.815 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.815 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -95.39 -98.65 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.425 ' HA2' ' C ' ' A' ' 25' ' ' GLY . . . 136.39 -69.19 0.52 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.582 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 113.95 69.31 0.5 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -166.91 68.44 0.1 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.06 . . . . 1.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 52.06 63.82 2.09 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.986 1.428 . . . . 1.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' ' OD1' ' A' ' 50' ' ' ASN . . . -93.05 70.67 1.5 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 21.1 p30 31.13 -152.62 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.962 1.036 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.741 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.001 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 46.99 40.8 9.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.18 166.96 0.03 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.84 160.89 40.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.495 2.797 . . . . 1.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 51.03 78.92 0.1 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.012 1.445 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.11 -139.41 3.15 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.38 0 O-C-N 125.016 1.068 . . . . 1.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.05 -69.56 0.18 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.975 1.422 . . . . 1.0 109.332 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' ASP . 2.7 mmpt? 74.78 -60.5 0.52 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.002 1.439 . . . . 1.0 109.306 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' LYS . 8.6 t70 -36.13 114.28 0.27 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t0 74.14 -60.82 0.51 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.005 1.44 . . . . 1.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.86 97.09 0.32 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -143.19 27.03 1.62 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.014 1.446 . . . . 1.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 74.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.039 1.462 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -94.52 -113.09 0.11 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.014 1.446 . . . . 1.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -115.1 160.76 32.65 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.694 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.617 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.694 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.3 t80 -68.22 -49.78 58.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 24' ' ' ARG . . . 59.97 -67.01 0.01 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -43.2 161.42 0.05 OUTLIER Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -108.81 -16.22 14.21 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.065 . . . . 1.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -158.22 73.41 0.66 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.0 1.438 . . . . 1.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.39 -124.31 4.31 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.326 -1.509 . . . . 1.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 -90.65 -163.98 1.1 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.055 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 47.4 95.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.71 -86.15 0.01 OUTLIER Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 18.4 Cg_endo -74.18 149.27 40.58 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.541 2.827 . . . . 1.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -82.81 55.67 3.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.966 1.416 . . . . 1.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.75 25.12 2.71 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.011 1.065 . . . . 1.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.461 -0.78 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.425 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 37.1 t80 -164.98 -51.35 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.928 1.392 . . . . 1.0 109.365 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.15 -149.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.255 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASP . 12.0 p-10 -37.17 -48.33 0.84 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.05 1.469 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' OD2' ' CE2' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 57.56 162.14 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.988 1.43 . . . . 1.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 128.65 37.11 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.992 1.433 . . . . 1.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.31 -174.03 3.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.973 1.42 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 77.57 -58.82 0.47 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.069 1.481 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.45 168.11 12.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.953 1.408 . . . . 1.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.598 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 63.14 128.93 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.504 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.782 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -139.93 -61.89 0.52 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 88.68 -49.71 3.67 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.307 -1.517 . . . . 1.0 109.307 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 113.94 -74.26 0.23 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.6 m -13.55 115.52 0.02 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.942 1.025 . . . . 1.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 6.3 tt 31.65 -90.06 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 80.43 -138.6 19.94 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.305 -1.518 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -146.84 -172.79 4.06 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.065 . . . . 1.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 34.84 88.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' PHE . . . -152.03 -164.43 12.27 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.4 Cg_endo -71.43 -169.35 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 65.16 -68.45 0.11 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.982 1.426 . . . . 1.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -77.14 -52.73 5.54 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.35 0 O-C-N 124.967 1.04 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.74 177.01 0.24 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 27.51 5.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.974 1.421 . . . . 1.0 109.304 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.94 -47.08 84.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 1.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 51.06 -171.24 0.03 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 1.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.32 -73.3 0.04 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER 41.42 92.08 0.01 OUTLIER 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.968 1.418 . . . . 1.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 30.86 7.0 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 68.35 178.87 0.24 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.952 1.407 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 67.93 131.65 0.04 OUTLIER Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.636 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.636 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 -156.53 100.77 1.97 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -48.08 -43.79 25.33 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 103.64 -69.16 0.29 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.636 ' C ' ' O ' ' A' ' 46' ' ' GLY . 68.9 m -8.4 -98.26 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.995 1.056 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.5 -73.56 0.66 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.15 -141.66 39.85 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 -137.56 -166.93 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.068 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 94.67 -18.57 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 85.01 95.6 0.72 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.21 1.08 9.3 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.458 2.772 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -76.11 -72.25 0.34 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.988 1.43 . . . . 1.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.04 -57.06 0.65 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.011 1.065 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -140.76 35.37 1.79 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 149.38 0.74 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 20.9 p-10 168.33 -40.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 1.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.2 p-10 162.67 120.77 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.974 1.421 . . . . 1.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 4.0 t0 -59.09 -164.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.059 1.474 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 0.9 OUTLIER 82.86 32.9 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.45 . . . . 1.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -113.93 50.25 0.94 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.989 1.431 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.09 131.48 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 1.0 109.334 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.76 142.16 0.06 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.074 1.484 . . . . 1.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 8' ' ' LYS . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.683 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -82.71 59.83 4.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -61.52 64.75 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -167.01 158.5 31.51 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 65.8 m -103.17 -13.85 16.61 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.034 1.079 . . . . 1.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -119.6 -54.63 2.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.5 -159.11 0.04 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -107.11 -155.5 0.55 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.99 1.053 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE1' ' CD1' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 47.96 96.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.95 -150.18 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.8 170.46 20.31 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.532 2.822 . . . . 1.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -45.86 105.43 0.06 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.984 1.428 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.9 114.94 1.86 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.053 . . . . 1.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.544 ' CG ' ' CD2' ' A' ' 2' ' ' TYR . 5.7 t70 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 10.8 p90 -176.15 -42.12 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 74.23 -73.17 0.1 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.45 . . . . 1.0 109.33 -179.413 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 154.54 135.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 21.5 t0 92.84 -26.2 0.04 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.024 1.453 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.74 0.85 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.35 -69.34 0.75 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.057 1.473 . . . . 1.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.77 -63.66 0.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.023 1.452 . . . . 1.0 109.261 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.42 33.05 0.64 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.997 1.436 . . . . 1.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -106.84 144.67 29.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.631 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.765 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.765 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -90.65 118.86 30.42 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 23' ' ' CYS . . . -48.96 -70.37 0.8 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 148.0 -122.32 1.51 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.7 p -17.49 -98.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.057 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -64.6 172.02 2.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.61 -147.92 18.89 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 -135.63 -171.09 2.76 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.072 . . . . 1.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.497 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 51.72 26.2 3.32 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.34 92.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.9 130.07 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.51 2.806 . . . . 1.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 55.76 29.1 13.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -137.49 -51.25 0.06 OUTLIER Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.241 -1.543 . . . . 1.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.414 0 O-C-N 125.003 1.06 . . . . 1.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.471 -0.776 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.52 -49.41 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.945 1.403 . . . . 1.0 109.283 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -169.51 178.29 4.26 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.418 . . . . 1.0 109.277 -179.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.9 t70 84.54 130.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -129.92 27.07 5.2 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 44.11 -164.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 60.78 78.77 0.27 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.99 1.431 . . . . 1.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.34 44.47 0.29 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.061 1.476 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER 50.01 -177.17 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.944 1.403 . . . . 1.0 109.343 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 66.81 145.0 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.504 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.504 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.665 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 -93.63 52.54 1.72 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.05 67.7 0.02 OUTLIER Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -158.6 169.36 35.01 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.0 m -119.71 23.81 10.93 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.046 . . . . 1.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -166.0 -45.91 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 37.39 -137.63 0.62 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -130.68 -157.12 0.8 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.05 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.509 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.555 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 3.9 t-20 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 97.53 168.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.93 36.72 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.49 1.23 9.22 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.455 2.77 . . . . 1.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -48.4 -31.05 5.64 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.84 49.99 0.04 OUTLIER Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.941 1.024 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -56.7 125.06 20.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.294 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 5.4 ptmm? 51.12 179.62 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.042 1.464 . . . . 1.0 109.305 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.39 170.45 15.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.44 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' O ' ' NZ ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 74.89 157.39 0.19 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.954 1.409 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 5.1 p30 -104.13 -28.05 11.7 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.975 1.422 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 178.53 -82.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.034 1.459 . . . . 1.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -41.97 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.007 1.442 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.2 28.89 7.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.417 . . . . 1.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 69.27 145.73 0.11 Allowed Pre-proline 0 C--O 1.239 0.518 0 O-C-N 124.977 1.423 . . . . 1.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.658 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.487 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.545 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.669 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.669 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -101.14 -80.46 0.49 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.545 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 116.5 -61.58 0.4 Allowed Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 135.59 -89.47 0.23 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 48' ' ' LEU . 67.5 m -19.71 124.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.062 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.634 ' C ' ' O ' ' A' ' 47' ' ' CYS . 1.1 tt -9.49 111.55 0.01 OUTLIER 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -132.41 79.02 0.35 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 49' ' ' GLY . 6.1 p-10 35.38 -158.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.049 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER 63.05 169.66 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.09 159.5 31.58 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.238 -1.545 . . . . 1.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.3 Cg_endo -74.65 151.89 41.94 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.511 2.807 . . . . 1.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 t30 58.5 -81.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.987 1.429 . . . . 1.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -48.91 -79.02 0.08 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.354 0 O-C-N 124.998 1.058 . . . . 1.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.359 -0.829 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 3' ' ' LYS . 11.2 t80 -173.77 -82.93 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.283 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.24 -177.64 6.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 60.87 -77.91 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' LYS . 3.1 t0 61.67 -162.47 0.28 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.931 1.394 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' LYS . 7.2 m-20 -178.82 69.84 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.01 1.444 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.15 -80.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 75.31 -82.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.947 1.404 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.6 mt -135.36 39.74 2.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 146.6 1.0 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.027 1.454 . . . . 1.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.595 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.695 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' OE2' ' OG1' ' A' ' 36' ' ' THR . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 -157.68 50.8 0.44 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -58.29 72.23 0.01 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -177.52 170.72 43.28 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.319 -1.513 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 55.9 m -108.29 -11.7 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.078 . . . . 1.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.85 -70.11 0.4 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.042 1.464 . . . . 1.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.5 -104.0 1.91 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -168.39 -178.08 3.43 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.071 . . . . 1.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.618 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.525 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 96.77 163.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.51 166.89 23.72 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.15 158.46 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.468 2.779 . . . . 1.0 111.02 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 49.73 48.89 21.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.029 1.456 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.94 -130.67 8.53 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.346 0.418 0 O-C-N 124.974 1.043 . . . . 1.0 109.287 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.525 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 173.74 -95.11 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.021 1.451 . . . . 1.0 109.346 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 107.06 12.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.97 1.419 . . . . 1.0 109.35 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -121.34 -54.92 1.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.059 1.475 . . . . 1.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.7 m-20 79.86 134.94 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.942 1.401 . . . . 1.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -45.21 158.29 0.07 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 2.4 t70 84.55 27.29 0.08 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.43 -81.45 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.81 29.09 8.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.942 1.401 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.58 151.8 0.12 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD23 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.621 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.696 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.696 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 -128.52 62.03 1.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.456 ' HA2' ' N ' ' A' ' 25' ' ' GLY . . . -69.13 60.09 0.56 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -157.77 178.77 33.92 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -133.07 18.32 4.1 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.026 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 12.4 tp -159.27 -71.42 0.08 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.24 175.69 0.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' ND2' HD23 ' A' ' 16' ' ' LEU . 27.4 p30 -81.83 -178.09 6.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.019 1.07 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.481 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.446 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER 71.7 -51.51 0.69 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -125.92 74.92 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.241 -1.544 . . . . 1.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.59 55.01 5.0 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.498 2.799 . . . . 1.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 68.87 26.54 5.86 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.82 120.94 1.19 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.37 0 O-C-N 125.058 1.093 . . . . 1.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -92.81 -66.17 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 -65.05 0.37 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.81 -61.45 1.18 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.999 1.437 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.3 159.37 15.18 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.974 1.421 . . . . 1.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 2.1 p30 -61.41 -49.8 75.4 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.993 1.433 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 1.5 p30 154.99 64.03 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt 54.74 104.62 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.22 111.47 0.78 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.039 1.462 . . . . 1.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.538 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -41.85 132.66 2.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.583 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.777 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.777 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 6.3 t80 -145.64 131.54 19.15 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -105.77 -24.25 7.08 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.574 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 86.99 -83.03 1.6 Allowed Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 4.5 m -29.26 120.12 0.14 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.945 1.026 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 65.65 -88.09 0.03 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.427 . . . . 1.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.73 -156.04 2.06 Favored Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 -130.53 -157.15 0.8 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.067 1.098 . . . . 1.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.51 ' HE1' ' CD2' ' A' ' 13' ' ' PHE . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.559 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.183 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER 29.21 -94.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 132.06 168.93 12.19 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.6 84.34 1.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.46 2.774 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 54.3 79.58 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.059 1.474 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.95 -116.8 0.41 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 66' ' ' ASP . 16.3 p90 . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.967 1.039 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -166.88 41.28 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.041 1.463 . . . . 1.0 109.357 -179.825 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 90.25 111.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.441 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -155.27 -158.69 0.85 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.035 1.459 . . . . 1.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -142.89 137.96 29.88 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.003 1.439 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -157.8 58.0 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.411 . . . . 1.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.8 m-20 -139.42 -79.37 0.32 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.962 1.414 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 86.9 -50.91 0.05 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.043 1.464 . . . . 1.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.88 -149.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.962 1.413 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -118.67 152.75 51.75 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.998 1.436 . . . . 1.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.659 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.535 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 -92.65 52.16 1.84 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.59 64.94 0.02 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -161.9 176.13 38.37 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.45 -5.16 12.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.995 1.056 . . . . 1.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 2.4 tp -174.9 75.69 0.03 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -101.91 103.31 2.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' O ' ' O ' ' A' ' 49' ' ' GLY . 29.5 p-10 27.26 -148.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.043 1.084 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.653 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 63' ' ' ILE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 47.3 42.32 13.56 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -40.27 160.15 0.02 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.78 54.79 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.472 2.781 . . . . 1.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -99.13 49.59 0.95 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.9 -26.9 22.75 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.968 1.04 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 118.417 -0.801 . . . . 1.0 109.323 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -114.12 54.43 0.76 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.011 1.445 . . . . 1.0 109.26 -179.74 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -175.43 -44.22 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.34 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.4 159.47 2.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.055 1.472 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -124.35 27.06 7.15 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.006 1.442 . . . . 1.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.98 -158.37 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t0 61.3 -83.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt 174.98 85.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 1.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 34.41 1.37 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.965 1.416 . . . . 1.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -67.17 138.4 94.61 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 HD23 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 48' ' ' LEU . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.566 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -137.91 -68.98 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 95.78 -47.89 1.85 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 75.49 80.0 0.58 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -170.0 93.51 0.24 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.998 1.058 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' O ' ' C ' ' A' ' 49' ' ' GLY . 3.5 tp 75.81 -37.05 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -21.05 129.86 0.01 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 -75.94 -167.93 0.81 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER 56.41 20.75 4.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.97 154.73 0.05 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.43 -77.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.48 2.787 . . . . 1.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -82.89 104.65 13.27 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.004 1.44 . . . . 1.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.1 159.15 10.43 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.387 0 O-C-N 125.014 1.067 . . . . 1.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -45.53 135.34 6.49 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.028 1.455 . . . . 1.0 109.313 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 66.51 102.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.449 . . . . 1.0 109.272 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.29 -82.9 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.061 1.476 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 165.62 -46.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 2.1 t0 83.62 -158.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.044 1.465 . . . . 1.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -45.07 168.0 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.439 . . . . 1.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.1 -44.67 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 1.1 tt -105.19 163.85 12.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt 62.6 130.75 0.03 OUTLIER Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.98 1.425 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.666 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.253 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.699 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 1.4 t80 -162.77 48.41 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 24' ' ' ARG . . . -64.88 61.32 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -164.66 174.92 40.7 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -124.86 -44.79 1.92 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.994 1.055 . . . . 1.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -100.19 33.2 2.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.7 -164.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 -71.21 -166.93 0.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.068 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.699 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 39' ' ' CYS . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.253 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 58.94 176.76 0.07 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -178.64 -78.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.104 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -79.18 2.37 8.37 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.477 2.784 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 t30 69.43 161.91 0.22 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.65 117.54 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.002 1.06 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 67.5 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.493 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 77.32 74.83 0.07 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.073 1.483 . . . . 1.0 109.304 -179.803 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -57.11 -177.12 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.297 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.6 37.71 1.55 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.035 1.459 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.4 t0 178.77 113.01 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.055 1.472 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -168.74 60.31 0.06 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.72 -48.78 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.038 1.461 . . . . 1.0 109.356 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -153.15 75.84 1.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.949 1.405 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.15 162.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 1.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -57.78 146.36 67.03 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.635 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.717 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 -152.09 94.16 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . -44.35 -42.85 7.25 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 107.04 -70.34 0.21 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 60.7 m -7.77 -97.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.059 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -99.0 -95.02 0.24 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.008 1.442 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.46 -160.55 53.8 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 48.8 p30 -124.03 -167.91 1.71 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.607 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 47.54 60.7 3.33 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.81 -147.1 0.07 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -164.45 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.533 2.822 . . . . 1.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -79.84 151.62 30.14 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.98 -49.73 0.85 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.345 0.408 0 O-C-N 125.022 1.072 . . . . 1.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 t0 . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.369 -0.824 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -74.32 90.98 2.15 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 1.0 109.301 -179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -171.87 121.56 0.48 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 1.0 109.349 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -155.33 129.57 8.9 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.987 1.429 . . . . 1.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -138.14 -176.87 4.59 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.952 1.407 . . . . 1.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -96.29 48.06 1.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -139.29 43.27 2.03 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.018 1.448 . . . . 1.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -27.1 12.38 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.024 1.453 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.2 mt -83.54 54.29 2.8 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -151.73 149.82 24.82 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 1.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.652 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 1.1 t30 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.3 t80 -169.76 43.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 24' ' ' ARG . . . -42.48 -22.64 0.14 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -69.63 162.8 52.1 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 2.9 m -121.72 2.5 10.06 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.015 1.068 . . . . 1.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.83 38.2 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' CA ' ' OD2' ' A' ' 19' ' ' ASP . . . -61.73 -152.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 -56.43 -167.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.068 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.556 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.73 -179.59 0.1 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.67 -147.75 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 61.94 5.86 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.502 2.801 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 61.81 144.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.049 1.468 . . . . 1.0 109.256 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.44 65.11 1.97 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 109.24 -1.544 . . . . 1.0 109.24 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 1.2 t80 . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.986 1.051 . . . . 1.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.415 -0.802 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.9 m-85 80.7 27.42 0.24 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.433 . . . . 1.0 109.333 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.28 179.17 7.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.308 -179.417 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -64.66 -161.49 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -117.06 169.6 9.3 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.024 1.453 . . . . 1.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.01 47.93 2.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.5 p30 -166.36 -166.11 0.85 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.951 1.407 . . . . 1.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.0 ttpt 91.7 26.97 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.24 38.27 28.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.948 1.405 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 155.02 64.43 Favored Pre-proline 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.588 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.625 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 4.8 t80 -160.12 104.12 1.48 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -57.42 -36.29 76.1 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 82.53 -72.96 2.73 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 35.8 m -14.41 -62.95 0.01 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.002 1.06 . . . . 1.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -123.21 -87.13 0.64 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.003 1.439 . . . . 1.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.42 -161.92 33.94 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.253 -1.539 . . . . 1.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 -122.9 -157.47 0.75 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.067 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t30 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.51 170.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.18 168.62 19.25 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.26 -15.12 25.54 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.493 2.795 . . . . 1.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -71.95 -13.91 61.77 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.001 1.438 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.64 40.95 36.76 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.001 1.059 . . . . 1.0 109.304 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.239 0.51 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -102.67 100.69 10.76 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 1.0 109.29 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.5 140.76 55.69 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.016 1.447 . . . . 1.0 109.301 -179.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 177.64 -82.57 0.0 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -150.36 146.51 26.77 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.047 1.467 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -153.45 178.39 9.86 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.056 1.472 . . . . 1.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.61 -83.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.6 OUTLIER 175.6 173.63 0.29 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -99.93 178.6 4.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.421 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -36.38 147.89 0.18 Allowed Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' N ' HD23 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.541 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG2' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 -106.98 96.68 6.6 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' O ' ' SG ' ' A' ' 23' ' ' CYS . . . -38.79 -44.97 1.98 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.539 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 68.33 92.82 0.05 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -165.68 -58.95 0.03 OUTLIER 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.988 1.052 . . . . 1.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.43 26.99 0.58 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.5 -149.18 0.02 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -140.86 -177.82 5.26 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.034 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.555 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 97.12 166.49 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.7 0.06 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' O ' ' CE1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -74.58 -164.37 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.527 2.818 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 12.6 m120 55.75 -84.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 173.31 -38.66 0.14 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.416 0 O-C-N 124.963 1.037 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -53.19 5.23 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.994 1.434 . . . . 1.0 109.275 -179.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.58 27.14 16.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.015 1.447 . . . . 1.0 109.31 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 4' ' ' ASP . 23.3 p-10 178.63 107.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.021 1.451 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.75 89.96 3.15 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 40.71 34.94 0.28 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.9 t70 60.55 151.91 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.958 1.412 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 91.8 -172.48 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -122.54 132.53 54.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.312 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 151.18 40.21 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.985 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.747 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' HD11 ' A' ' 27' ' ' ILE . 1.8 t80 -132.02 58.27 1.75 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.64 69.04 0.11 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -172.33 169.35 42.47 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.6 m -108.39 -11.36 15.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.027 1.075 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.26 72.26 0.04 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.021 1.451 . . . . 1.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.25 -136.08 0.15 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 -85.88 -166.78 1.63 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.076 . . . . 1.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.985 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER 94.23 -31.93 0.02 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.54 170.55 13.22 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.56 121.27 6.27 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.584 2.856 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 m120 36.26 89.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.48 -117.9 5.87 Favored Glycine 0 C--N 1.344 1.02 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 66' ' ' ASP . 2.4 m-85 . . . . . 0 C--N 1.346 0.425 0 O-C-N 124.989 1.053 . . . . 1.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 . . . . . 0 C--O 1.24 0.591 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -170.86 166.07 7.74 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 1.0 109.325 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 155.55 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.302 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.1 t0 -109.64 -75.59 0.62 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 4.0 t0 86.15 107.53 0.05 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 1.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -53.43 -27.06 22.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.955 1.409 . . . . 1.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.8 81.81 0.04 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.971 1.42 . . . . 1.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.15 -91.68 0.13 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.021 1.451 . . . . 1.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 73.14 -155.73 0.08 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -138.12 148.78 61.34 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.03 1.457 . . . . 1.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' CA ' ' HA2' ' A' ' 49' ' ' GLY . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.198 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.626 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.721 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.596 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.721 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 -120.58 49.1 1.49 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.59 59.82 0.12 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA2' ' N ' ' A' ' 23' ' ' CYS . . . -148.97 146.14 15.24 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.198 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m -91.72 19.14 6.71 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.017 1.069 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.78 -49.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' HA2' ' CA ' ' A' ' 21' ' ' GLY . . . 52.05 -154.47 5.06 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 -104.27 -165.45 1.15 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.079 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.478 ' HE1' ' CG ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 47.85 96.51 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.25 162.45 0.03 OUTLIER Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.32 14.01 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.53 2.82 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -44.76 -28.78 0.67 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.452 . . . . 1.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.77 124.39 4.44 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 . . . . . 0 C--N 1.346 0.427 0 O-C-N 125.021 1.071 . . . . 1.0 109.242 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.06 138.4 40.64 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.0 1.438 . . . . 1.0 109.301 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HE3' ' CA ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -62.28 -59.79 4.51 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 1.0 109.301 -179.438 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.33 124.4 45.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.021 1.451 . . . . 1.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.04 162.23 0.13 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.961 1.413 . . . . 1.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 -167.42 2.38 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.018 1.449 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.14 73.75 0.05 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.013 1.446 . . . . 1.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 28.03 9.12 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tt -87.28 152.8 21.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.986 1.429 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.538 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -115.32 132.48 23.06 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.612 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' C ' ' A' ' 49' ' ' GLY . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.741 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 -120.92 83.28 2.04 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -33.2 -36.5 0.04 OUTLIER Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . 57.74 90.14 0.01 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 m -172.01 -42.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.98 1.047 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.22 45.69 0.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.036 1.46 . . . . 1.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' OD2' ' A' ' 19' ' ' ASP . . . -82.84 -141.06 3.95 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.258 -1.537 . . . . 1.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -138.82 -166.39 2.01 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.05 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 9.1 t30 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.627 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.536 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.28 156.23 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.63 -174.99 24.9 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.71 -75.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.523 2.815 . . . . 1.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 71' ' ' PHE . 12.1 m120 -51.2 141.03 15.34 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.069 1.48 . . . . 1.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.73 -96.07 0.01 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' ASN . 1.3 t80 . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.051 1.089 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 3.6 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.489 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' THR . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.702 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' HB2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.661 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.802 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.802 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.717 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.465 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.717 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.8 t30 -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.719 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE2' HG23 ' A' ' 36' ' ' THR . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.719 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.419 -0.8 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 8.3 t-20 -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 . . . . . 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 21' ' ' GLY . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.725 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' O ' HD11 ' A' ' 57' ' ' LEU . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.328 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.725 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.8 p30 . . . . . 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.346 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' HG3' ' A' ' 29' ' ' ARG . 2.0 t80 . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.51 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 . . . . . 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.354 -0.831 . . . . 1.0 109.33 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.758 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.45 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.758 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.534 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.8 p30 . . . . . 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.376 -0.821 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' THR . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.772 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.3 t80 . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' CYS . 6.3 p-10 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 . . . . . 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.419 -0.801 . . . . 1.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.65 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' C ' HG12 ' A' ' 22' ' ' ILE . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.733 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.82 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.82 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 21.1 p30 . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.418 -0.801 . . . . 1.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.733 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD21 ' HZ2' ' A' ' 61' ' ' LYS . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 . . . . . 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.353 -0.832 . . . . 1.0 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 28' ' ' THR . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.699 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.613 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' OD1' ' A' ' 53' ' ' ASN . 1.3 t80 . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.423 -0.799 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' OE1' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.506 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.391 -0.814 . . . . 1.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.642 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 50' ' ' ASN . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' THR . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.788 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.561 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.788 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . 48.2 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.641 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' ILE . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.688 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.688 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.614 ' HE2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 56' ' ' THR . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 . . . . . 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.558 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' O ' HD11 ' A' ' 57' ' ' LEU . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.767 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 . . . . . 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.374 -0.822 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 28' ' ' THR . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.741 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.741 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.715 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.3 t80 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.421 -0.8 . . . . 1.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.715 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 9.7 t30 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.518 0 CA-C-O 118.397 -0.811 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.707 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.675 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 6.1 p-10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.435 -0.793 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.707 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.41 -0.805 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.2 t80 . . . . . 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.507 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.375 -0.822 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ARG . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.63 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.648 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.7 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.567 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.7 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 . . . . . 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 27.4 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.648 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CG ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.652 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 21' ' ' GLY . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.781 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.703 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 6.3 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.434 -0.793 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 53' ' ' ASN . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.703 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.8 t30 -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.728 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 9.9 t-20 -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.304 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.745 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.524 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.745 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 . . . . . 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.504 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 29.5 p-10 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 . . . . . 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.421 -0.799 . . . . 1.0 109.339 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 28' ' ' THR . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.776 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.776 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.463 -0.779 . . . . 1.0 109.259 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.558 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.413 -0.803 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.682 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.632 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.69 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.632 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.614 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.4 t80 . . . . . 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.338 -0.839 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.638 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 . . . . . 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 48.8 p30 . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.441 -0.79 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.658 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.709 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 5.3 t80 . . . . . 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.451 -0.785 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.709 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 2.2 t30 -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.599 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.729 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.634 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.729 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.757 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 4.8 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.361 -0.828 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.757 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t-20 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 39' ' ' CYS . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.365 -0.826 . . . . 1.0 109.292 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' ILE . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.686 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.557 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 39' ' ' CYS . 1.7 pt20 -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.592 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.315 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG2' ' SG ' ' A' ' 39' ' ' CYS . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.355 -0.831 . . . . 1.0 109.328 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.753 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.753 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.53 ' CD2' HD13 ' A' ' 27' ' ' ILE . 1.8 t80 . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.38 -0.819 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.286 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.591 ' O ' ' C ' ' A' ' 24' ' ' ARG . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.722 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.722 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.447 -0.787 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE3' ' CD2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 . . . . . 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.613 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 . . . . . 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.412 -0.804 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 14' ' ' CYS . 3.5 t-20 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.62 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.528 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 65.63 -152.08 0.25 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 177.93 6.21 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.015 1.447 . . . . 1.0 109.292 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.61 76.23 0.42 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.016 1.448 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 25.3 m-20 -62.84 178.6 0.44 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 1.6 m-20 82.12 -58.69 0.21 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LYS . 15.7 t0 -73.77 61.15 0.74 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.951 1.407 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 35.27 45.83 0.22 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 36.59 80.84 0.03 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.997 1.436 . . . . 1.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -109.95 149.45 40.03 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.994 1.433 . . . . 1.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 3.6 t80 -133.67 125.91 29.66 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 23' ' ' CYS . . . -73.84 -67.74 1.72 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 135.46 -108.08 0.67 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.626 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.8 p -10.08 -97.17 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.969 1.04 . . . . 1.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' GLY . 4.2 tp -61.28 -132.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.69 -152.67 17.18 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.263 -1.535 . . . . 1.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 -151.77 -155.07 0.58 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.058 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 38.35 73.64 0.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.31 -68.08 1.78 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.2 Cg_endo -73.55 64.54 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.487 2.792 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER 42.84 -88.35 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.055 1.472 . . . . 1.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -64.56 -127.06 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CG ' ' C ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.965 1.038 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.28 63.22 6.36 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.052 1.47 . . . . 1.0 109.313 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.79 -43.68 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.986 1.429 . . . . 1.0 109.328 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 13.3 t0 -124.23 147.51 48.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 14.6 t0 92.89 -26.24 0.04 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.53 -72.28 0.09 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 1.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -174.1 154.96 2.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.9 mmmp? -112.6 28.9 8.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LYS . 1.5 pp 33.19 36.76 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -133.27 157.33 78.47 Favored Pre-proline 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.489 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG13 ' CD1' ' A' ' 48' ' ' LEU . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' THR . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.702 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' HB2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -158.7 -112.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 142.26 -69.8 0.43 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.45 -81.95 0.35 Allowed Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.633 ' C ' ' O ' ' A' ' 46' ' ' GLY . 5.3 m -9.7 -69.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.061 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -121.06 -163.65 1.05 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.044 1.465 . . . . 1.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.33 -147.03 19.0 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 -145.87 -157.37 0.79 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.047 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.661 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.53 175.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.05 -167.0 39.54 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.41 54.95 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.495 2.797 . . . . 1.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -27.06 15.7 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.46 41.63 1.03 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 66' ' ' ASP . 4.0 m-85 . . . . . 0 C--N 1.345 0.398 0 O-C-N 124.984 1.049 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 118.407 -0.806 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.56 100.33 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.031 1.457 . . . . 1.0 109.313 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -88.81 -28.6 20.33 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.972 1.42 . . . . 1.0 109.328 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -157.08 164.12 38.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.08 90.36 4.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.982 1.427 . . . . 1.0 109.25 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -119.5 142.75 48.02 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 1.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.4 130.97 20.49 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -50.22 -34.76 23.97 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.997 1.436 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 4.2 mt -141.32 -118.38 0.11 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.975 1.422 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 156.61 78.17 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.997 1.436 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.802 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.802 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.717 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -104.7 104.91 14.79 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 20' ' ' PRO . . . -41.31 -54.44 3.89 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.284 -1.526 . . . . 1.0 109.284 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' CYS . . . 125.9 -37.81 2.4 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 66.1 m -51.73 -176.48 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.039 1.082 . . . . 1.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' C ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.0 -21.37 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.027 1.454 . . . . 1.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' HD22 ' A' ' 48' ' ' LEU . . . 31.23 -102.41 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 -172.09 -157.51 0.11 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.059 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.465 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.717 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.8 t30 -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.32 163.88 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' PHE . . . -161.21 -176.01 32.85 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.18 -38.3 1.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.519 2.813 . . . . 1.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -55.1 27.39 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 1.0 109.371 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.66 -39.6 7.59 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.993 1.055 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 2' ' ' TYR . 2.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 1' ' ' ASP . 47.7 m-85 -151.97 -72.78 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.306 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 68.27 -98.47 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 1.0 109.339 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 5.4 t0 -154.18 31.01 0.44 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.029 1.456 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 86.35 15.73 0.12 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.021 1.451 . . . . 1.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -158.37 0.12 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.86 137.38 26.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.989 1.431 . . . . 1.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -48.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.981 1.425 . . . . 1.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.66 -8.93 46.84 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.22 148.02 1.17 Allowed Pre-proline 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.032 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' O ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.719 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE2' HG23 ' A' ' 36' ' ' THR . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.719 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -153.83 -99.09 0.04 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 134.86 -60.12 0.65 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.269 -1.533 . . . . 1.0 109.269 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 92.82 70.77 1.16 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.032 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.7 p -171.04 83.03 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.983 1.049 . . . . 1.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 71.36 -56.35 0.63 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.352 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . 25.5 -110.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 -171.11 -154.42 0.1 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.073 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' OD1' ' CZ ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 47.42 64.63 1.52 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' CD2' ' A' ' 71' ' ' PHE . . . -36.23 150.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -71.53 160.17 49.17 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.555 2.837 . . . . 1.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.55 92.32 0.01 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.929 1.393 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.15 -50.49 0.86 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' OD1' ' A' ' 62' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 124.954 1.032 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.436 -0.792 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -48.96 161.55 0.14 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 1.0 109.33 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.41 27.81 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.048 1.468 . . . . 1.0 109.298 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 164.18 -76.61 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.063 1.477 . . . . 1.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 p30 163.49 176.33 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.052 1.47 . . . . 1.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -37.11 147.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.006 1.441 . . . . 1.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -176.56 -83.4 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.941 1.401 . . . . 1.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? 172.2 100.04 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.025 1.453 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.88 -6.16 39.75 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.989 1.431 . . . . 1.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 87.24 146.9 0.07 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 21' ' ' GLY . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.543 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.725 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' O ' HD11 ' A' ' 57' ' ' LEU . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -109.66 -91.71 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.543 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 130.42 -61.49 0.66 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 74.94 100.12 0.1 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.56 -42.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.094 . . . . 1.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp -170.5 36.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 -157.69 18.64 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -133.99 -177.99 4.82 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.051 . . . . 1.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.725 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.8 p30 53.55 -166.16 0.08 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . -118.88 169.15 13.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.84 120.66 7.23 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.516 2.811 . . . . 1.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 55.54 63.07 2.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.965 1.415 . . . . 1.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.98 -112.91 4.2 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CE2' ' C ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.988 1.052 . . . . 1.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' A' ' 2' ' ' TYR . 2.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' CE2' ' OD2' ' A' ' 1' ' ' ASP . 1.9 m-85 -131.18 135.7 47.65 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.976 1.422 . . . . 1.0 109.277 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 tptm 65.22 137.46 0.02 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 179.3 -169.29 0.11 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.036 1.46 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 5.7 m-20 -130.04 151.29 50.74 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 3.3 m-20 79.47 92.33 0.05 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.426 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 4.6 t0 84.41 -179.54 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.9 0.2 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.031 1.457 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.11 -149.64 0.04 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 65.47 142.88 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.036 1.46 . . . . 1.0 109.346 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 2.0 t80 -94.77 122.24 37.18 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 20' ' ' PRO . . . -64.09 -56.91 15.52 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 133.07 -110.69 0.93 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' C ' ' O ' ' A' ' 46' ' ' GLY . 12.6 m -8.48 113.27 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.987 1.051 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 38.07 -113.13 0.11 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.404 . . . . 1.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.28 -111.1 2.51 Favored Glycine 0 C--N 1.346 1.083 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 -159.92 -156.18 0.48 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.026 1.074 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 49.13 26.16 1.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . -36.26 -85.26 0.01 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.339 -1.504 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 153.04 42.48 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.539 2.826 . . . . 1.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 1.5 p-10 -59.0 100.22 0.06 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.945 1.403 . . . . 1.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.97 -81.05 0.03 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.391 0 O-C-N 124.961 1.036 . . . . 1.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.61 121.44 45.32 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.964 1.415 . . . . 1.0 109.325 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 70.46 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.321 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -176.87 130.61 0.18 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.55 -32.51 22.11 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.29 96.21 9.45 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.74 -72.67 0.68 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.433 . . . . 1.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 33.97 -99.78 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.019 1.449 . . . . 1.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 170.68 158.54 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.453 . . . . 1.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -174.84 161.5 2.47 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.982 1.427 . . . . 1.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 48' ' ' LEU . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.758 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.758 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -127.66 -105.07 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . 139.96 -71.13 0.44 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.67 -129.77 6.98 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -7.57 111.3 0.01 OUTLIER 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.045 1.086 . . . . 1.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 47' ' ' CYS . 3.4 tm? 59.23 131.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.93 -117.81 0.51 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 11.4 p-10 -171.17 -155.95 0.11 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.065 . . . . 1.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.534 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 4.8 p30 45.74 -173.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 68' ' ' PRO . . . -80.52 -72.06 1.24 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 67' ' ' GLY . 18.4 Cg_endo -51.55 -87.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.485 2.79 . . . . 1.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.487 ' CB ' ' HE3' ' A' ' 10' ' ' LYS . 2.6 m120 -62.59 74.3 0.02 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.002 1.438 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 128.0 -154.17 19.7 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 1.3 m-30 . . . . . 0 C--N 1.344 0.369 0 O-C-N 124.959 1.035 . . . . 1.0 109.272 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 3' ' ' LYS . 6.4 t0 . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.402 -0.809 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 0.8 OUTLIER 65.06 -77.23 0.04 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.032 1.457 . . . . 1.0 109.281 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 177.89 -170.2 0.09 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.962 1.414 . . . . 1.0 109.282 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' LYS . 9.5 t70 -36.44 150.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.03 1.456 . . . . 1.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 7' ' ' ASP . 86.2 m-20 -124.21 76.3 1.46 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 1.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 51.48 -86.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.407 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 50.44 -87.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 1.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER 73.31 125.16 0.04 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.74 28.2 16.42 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -131.59 139.45 35.29 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 125.026 1.454 . . . . 1.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 48' ' ' LEU . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' THR . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.772 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 9.3 t80 -127.67 98.8 5.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -59.74 -18.07 44.45 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 43.99 85.95 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.8 m -168.18 -44.18 0.02 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.052 1.089 . . . . 1.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' C ' ' HA2' ' A' ' 21' ' ' GLY . 0.3 OUTLIER -158.99 29.98 0.21 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.3 -139.73 0.04 OUTLIER Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 -147.43 -159.35 1.02 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.992 1.054 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 6.3 p-10 47.46 96.06 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.3 -145.07 18.36 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.47 -42.15 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -48.29 175.32 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.22 -78.13 0.04 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.337 -1.505 . . . . 1.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.42 0 O-C-N 124.934 1.02 . . . . 1.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.449 -0.786 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.54 139.59 0.14 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.959 1.412 . . . . 1.0 109.315 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -98.53 127.64 44.54 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.445 . . . . 1.0 109.291 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.4 -83.38 0.03 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.968 1.417 . . . . 1.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 47.0 m-20 46.55 27.42 0.63 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER 67.95 -63.41 0.32 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.988 1.43 . . . . 1.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 44.36 -167.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -98.58 0.31 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.961 1.413 . . . . 1.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -160.73 -131.8 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.458 . . . . 1.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -127.62 140.74 38.89 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -120.36 -106.9 0.37 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 44' ' ' TYR . . . 139.24 -67.19 0.51 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.321 -1.511 . . . . 1.0 109.321 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.571 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 127.55 -61.67 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.259 -1.536 . . . . 1.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 79.4 m -27.01 95.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.015 1.068 . . . . 1.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.616 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER 11.49 98.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.99 1.431 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -147.96 18.13 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.342 -1.503 . . . . 1.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 -101.15 -157.71 0.63 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.001 1.059 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 49.44 99.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.32 -70.22 1.24 Allowed Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -75.35 80.27 2.55 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.56 2.84 . . . . 1.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 68' ' ' PRO . 8.2 p-10 38.79 -163.35 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 1.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.548 ' O ' ' CD2' ' A' ' 71' ' ' PHE . . . -34.12 -35.27 0.04 OUTLIER Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.026 1.074 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.449 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.5 OUTLIER 77.52 27.67 0.62 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.479 . . . . 1.0 109.3 -179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 46.69 1.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.332 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -167.63 -83.65 0.02 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.005 1.441 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -162.89 -62.61 0.04 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.6 177.68 0.02 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 1.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 48.79 -176.36 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.462 . . . . 1.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 89.63 27.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 1.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mt 40.76 91.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -112.19 148.83 39.93 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.65 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 49' ' ' GLY . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.733 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.82 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.82 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -95.39 -98.65 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 25' ' ' GLY . . . 136.39 -69.19 0.52 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 113.95 69.31 0.5 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -166.91 68.44 0.1 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.06 . . . . 1.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 52.06 63.82 2.09 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.986 1.428 . . . . 1.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' ' OD1' ' A' ' 50' ' ' ASN . . . -93.05 70.67 1.5 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' OD1' ' O ' ' A' ' 49' ' ' GLY . 21.1 p30 31.13 -152.62 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.962 1.036 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.733 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD21 ' HZ2' ' A' ' 61' ' ' LYS . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 46.99 40.8 9.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.18 166.96 0.03 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.84 160.89 40.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.495 2.797 . . . . 1.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 51.03 78.92 0.1 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.012 1.445 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.11 -139.41 3.15 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.38 0 O-C-N 125.016 1.068 . . . . 1.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.05 -69.56 0.18 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.975 1.422 . . . . 1.0 109.332 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' ASP . 2.7 mmpt? 74.78 -60.5 0.52 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.002 1.439 . . . . 1.0 109.306 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' LYS . 8.6 t70 -36.13 114.28 0.27 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t0 74.14 -60.82 0.51 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.005 1.44 . . . . 1.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.86 97.09 0.32 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -143.19 27.03 1.62 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.014 1.446 . . . . 1.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 74.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.039 1.462 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -94.52 -113.09 0.11 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.014 1.446 . . . . 1.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -115.1 160.76 32.65 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 28' ' ' THR . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.699 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.613 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.3 t80 -68.22 -49.78 58.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 24' ' ' ARG . . . 59.97 -67.01 0.01 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -43.2 161.42 0.05 OUTLIER Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -108.81 -16.22 14.21 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.065 . . . . 1.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -158.22 73.41 0.66 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.0 1.438 . . . . 1.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.39 -124.31 4.31 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.326 -1.509 . . . . 1.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 -90.65 -163.98 1.1 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.055 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' OE1' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.506 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 47.4 95.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.71 -86.15 0.01 OUTLIER Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 18.4 Cg_endo -74.18 149.27 40.58 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.541 2.827 . . . . 1.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -82.81 55.67 3.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.966 1.416 . . . . 1.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.75 25.12 2.71 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE1' ' HD2' ' A' ' 68' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.011 1.065 . . . . 1.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.461 -0.78 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.425 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 37.1 t80 -164.98 -51.35 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.928 1.392 . . . . 1.0 109.365 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.15 -149.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.255 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASP . 12.0 p-10 -37.17 -48.33 0.84 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.05 1.469 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' OD2' ' CE2' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 57.56 162.14 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.988 1.43 . . . . 1.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 128.65 37.11 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.992 1.433 . . . . 1.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.31 -174.03 3.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.973 1.42 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 77.57 -58.82 0.47 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.069 1.481 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.45 168.11 12.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.953 1.408 . . . . 1.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 63.14 128.93 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.642 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 50' ' ' ASN . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' THR . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.788 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.561 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.788 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -139.93 -61.89 0.52 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 88.68 -49.71 3.67 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.307 -1.517 . . . . 1.0 109.307 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 113.94 -74.26 0.23 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.6 m -13.55 115.52 0.02 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.942 1.025 . . . . 1.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 6.3 tt 31.65 -90.06 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 80.43 -138.6 19.94 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.305 -1.518 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . 48.2 p-10 -146.84 -172.79 4.06 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.065 . . . . 1.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 34.84 88.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' PHE . . . -152.03 -164.43 12.27 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.4 Cg_endo -71.43 -169.35 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 65.16 -68.45 0.11 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.982 1.426 . . . . 1.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -77.14 -52.73 5.54 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.35 0 O-C-N 124.967 1.04 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.74 177.01 0.24 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 27.51 5.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.974 1.421 . . . . 1.0 109.304 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.94 -47.08 84.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 1.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 51.06 -171.24 0.03 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 1.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.32 -73.3 0.04 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER 41.42 92.08 0.01 OUTLIER 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.968 1.418 . . . . 1.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 30.86 7.0 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 68.35 178.87 0.24 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.952 1.407 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 67.93 131.65 0.04 OUTLIER Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.641 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 -156.53 100.77 1.97 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -48.08 -43.79 25.33 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 103.64 -69.16 0.29 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.636 ' C ' ' O ' ' A' ' 46' ' ' GLY . 68.9 m -8.4 -98.26 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.995 1.056 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.5 -73.56 0.66 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.15 -141.66 39.85 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 -137.56 -166.93 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.068 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 94.67 -18.57 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 85.01 95.6 0.72 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.21 1.08 9.3 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.458 2.772 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -76.11 -72.25 0.34 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.988 1.43 . . . . 1.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.04 -57.06 0.65 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.011 1.065 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -140.76 35.37 1.79 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 149.38 0.74 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 20.9 p-10 168.33 -40.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 1.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.2 p-10 162.67 120.77 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.974 1.421 . . . . 1.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 4.0 t0 -59.09 -164.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.059 1.474 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 0.9 OUTLIER 82.86 32.9 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.45 . . . . 1.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 50.25 0.94 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.989 1.431 . . . . 1.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.09 131.48 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 1.0 109.334 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.76 142.16 0.06 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.074 1.484 . . . . 1.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.688 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.688 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -82.71 59.83 4.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -61.52 64.75 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -167.01 158.5 31.51 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 65.8 m -103.17 -13.85 16.61 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.034 1.079 . . . . 1.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -119.6 -54.63 2.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.5 -159.11 0.04 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -107.11 -155.5 0.55 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.99 1.053 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.614 ' HE2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 56' ' ' THR . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 47.96 96.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.95 -150.18 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.8 170.46 20.31 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.532 2.822 . . . . 1.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -45.86 105.43 0.06 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.984 1.428 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.9 114.94 1.86 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.053 . . . . 1.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.544 ' CG ' ' CD2' ' A' ' 2' ' ' TYR . 5.7 t70 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 10.8 p90 -176.15 -42.12 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 74.23 -73.17 0.1 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.45 . . . . 1.0 109.33 -179.413 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 154.54 135.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 21.5 t0 92.84 -26.2 0.04 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.024 1.453 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.74 0.85 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.35 -69.34 0.75 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.057 1.473 . . . . 1.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.77 -63.66 0.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.023 1.452 . . . . 1.0 109.261 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.42 33.05 0.64 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.997 1.436 . . . . 1.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -106.84 144.67 29.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.558 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' O ' HD11 ' A' ' 57' ' ' LEU . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.767 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -90.65 118.86 30.42 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 23' ' ' CYS . . . -48.96 -70.37 0.8 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 148.0 -122.32 1.51 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.7 p -17.49 -98.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.057 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -64.6 172.02 2.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.61 -147.92 18.89 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 -135.63 -171.09 2.76 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.072 . . . . 1.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 51.72 26.2 3.32 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.34 92.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.9 130.07 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.51 2.806 . . . . 1.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.76 29.1 13.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -137.49 -51.25 0.06 OUTLIER Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.241 -1.543 . . . . 1.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.414 0 O-C-N 125.003 1.06 . . . . 1.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.471 -0.776 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.52 -49.41 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.945 1.403 . . . . 1.0 109.283 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -169.51 178.29 4.26 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.418 . . . . 1.0 109.277 -179.438 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.9 t70 84.54 130.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -129.92 27.07 5.2 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 44.11 -164.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 60.78 78.77 0.27 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.99 1.431 . . . . 1.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.34 44.47 0.29 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.061 1.476 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER 50.01 -177.17 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.944 1.403 . . . . 1.0 109.343 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 66.81 145.0 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 28' ' ' THR . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.741 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.741 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.715 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.3 t80 -93.63 52.54 1.72 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.05 67.7 0.02 OUTLIER Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -158.6 169.36 35.01 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.0 m -119.71 23.81 10.93 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.046 . . . . 1.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -166.0 -45.91 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 37.39 -137.63 0.62 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -130.68 -157.12 0.8 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.05 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.715 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 9.7 t30 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 97.53 168.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.93 36.72 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.49 1.23 9.22 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.455 2.77 . . . . 1.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -48.4 -31.05 5.64 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.84 49.99 0.04 OUTLIER Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.941 1.024 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -56.7 125.06 20.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.294 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 5.4 ptmm? 51.12 179.62 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.042 1.464 . . . . 1.0 109.305 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.39 170.45 15.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.44 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' O ' ' NZ ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 74.89 157.39 0.19 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.954 1.409 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -104.13 -28.05 11.7 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.975 1.422 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 178.53 -82.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.034 1.459 . . . . 1.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -41.97 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.007 1.442 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.2 28.89 7.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.417 . . . . 1.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER 69.27 145.73 0.11 Allowed Pre-proline 0 C--O 1.239 0.518 0 O-C-N 124.977 1.423 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.707 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.675 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -101.14 -80.46 0.49 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.541 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 116.5 -61.58 0.4 Allowed Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 135.59 -89.47 0.23 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 48' ' ' LEU . 67.5 m -19.71 124.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.062 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.634 ' C ' ' O ' ' A' ' 47' ' ' CYS . 1.1 tt -9.49 111.55 0.01 OUTLIER 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -132.41 79.02 0.35 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 49' ' ' GLY . 6.1 p-10 35.38 -158.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.049 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.707 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER 63.05 169.66 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.09 159.5 31.58 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.238 -1.545 . . . . 1.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.3 Cg_endo -74.65 151.89 41.94 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.511 2.807 . . . . 1.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 t30 58.5 -81.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.987 1.429 . . . . 1.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -48.91 -79.02 0.08 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.354 0 O-C-N 124.998 1.058 . . . . 1.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.359 -0.829 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 3' ' ' LYS . 11.2 t80 -173.77 -82.93 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.283 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.24 -177.64 6.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 60.87 -77.91 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' LYS . 3.1 t0 61.67 -162.47 0.28 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.931 1.394 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' LYS . 7.2 m-20 -178.82 69.84 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.01 1.444 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.15 -80.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 75.31 -82.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.947 1.404 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.6 mt -135.36 39.74 2.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 146.6 1.0 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.027 1.454 . . . . 1.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.589 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.2 t80 -157.68 50.8 0.44 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -58.29 72.23 0.01 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -177.52 170.72 43.28 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.319 -1.513 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 55.9 m -108.29 -11.7 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.078 . . . . 1.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.85 -70.11 0.4 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.042 1.464 . . . . 1.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.5 -104.0 1.91 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -168.39 -178.08 3.43 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.071 . . . . 1.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.507 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 96.77 163.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.51 166.89 23.72 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.15 158.46 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.468 2.779 . . . . 1.0 111.02 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m120 49.73 48.89 21.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.029 1.456 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.94 -130.67 8.53 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.346 0.418 0 O-C-N 124.974 1.043 . . . . 1.0 109.287 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.525 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 173.74 -95.11 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.021 1.451 . . . . 1.0 109.346 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 107.06 12.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.97 1.419 . . . . 1.0 109.35 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -121.34 -54.92 1.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.059 1.475 . . . . 1.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.7 m-20 79.86 134.94 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.942 1.401 . . . . 1.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -45.21 158.29 0.07 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 2.4 t70 84.55 27.29 0.08 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.43 -81.45 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.81 29.09 8.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.942 1.401 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.58 151.8 0.12 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.63 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.648 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.7 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.567 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.7 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 -128.52 62.03 1.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.461 ' HA2' ' N ' ' A' ' 25' ' ' GLY . . . -69.13 60.09 0.56 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -157.77 178.77 33.92 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -133.07 18.32 4.1 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.026 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 12.4 tp -159.27 -71.42 0.08 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.24 175.69 0.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.428 ' ND2' HD22 ' A' ' 16' ' ' LEU . 27.4 p30 -81.83 -178.09 6.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.019 1.07 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.648 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER 71.7 -51.51 0.69 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -125.92 74.92 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.241 -1.544 . . . . 1.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.59 55.01 5.0 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.498 2.799 . . . . 1.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 68.87 26.54 5.86 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.82 120.94 1.19 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.37 0 O-C-N 125.058 1.093 . . . . 1.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -92.81 -66.17 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 -65.05 0.37 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.81 -61.45 1.18 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.999 1.437 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.3 159.37 15.18 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.974 1.421 . . . . 1.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 2.1 p30 -61.41 -49.8 75.4 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.993 1.433 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 1.5 p30 154.99 64.03 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt 54.74 104.62 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.22 111.47 0.78 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.039 1.462 . . . . 1.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CG ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -41.85 132.66 2.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.652 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.781 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.703 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 6.3 t80 -145.64 131.54 19.15 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -105.77 -24.25 7.08 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 86.99 -83.03 1.6 Allowed Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 4.5 m -29.26 120.12 0.14 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.945 1.026 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 65.65 -88.09 0.03 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.427 . . . . 1.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.73 -156.04 2.06 Favored Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 -130.53 -157.15 0.8 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.067 1.098 . . . . 1.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 53' ' ' ASN . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.703 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.8 t30 -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.728 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 9.9 t-20 -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER 29.21 -94.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 132.06 168.93 12.19 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.6 84.34 1.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.46 2.774 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 54.3 79.58 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.059 1.474 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.95 -116.8 0.41 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 66' ' ' ASP . 16.3 p90 . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.967 1.039 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -166.88 41.28 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.041 1.463 . . . . 1.0 109.357 -179.825 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 90.25 111.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.441 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -155.27 -158.69 0.85 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.035 1.459 . . . . 1.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -142.89 137.96 29.88 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.003 1.439 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -157.8 58.0 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.411 . . . . 1.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.8 m-20 -139.42 -79.37 0.32 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.962 1.414 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 86.9 -50.91 0.05 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.043 1.464 . . . . 1.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.88 -149.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.962 1.413 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -118.67 152.75 51.75 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.998 1.436 . . . . 1.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.745 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.524 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.745 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 -92.65 52.16 1.84 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.59 64.94 0.02 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -161.9 176.13 38.37 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.45 -5.16 12.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.995 1.056 . . . . 1.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 2.4 tp -174.9 75.69 0.03 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -101.91 103.31 2.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' O ' ' O ' ' A' ' 49' ' ' GLY . 29.5 p-10 27.26 -148.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.043 1.084 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 47.3 42.32 13.56 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -40.27 160.15 0.02 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.78 54.79 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.472 2.781 . . . . 1.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -99.13 49.59 0.95 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.9 -26.9 22.75 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.968 1.04 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 118.417 -0.801 . . . . 1.0 109.323 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -114.12 54.43 0.76 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.011 1.445 . . . . 1.0 109.26 -179.74 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -175.43 -44.22 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.34 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.4 159.47 2.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.055 1.472 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -124.35 27.06 7.15 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.006 1.442 . . . . 1.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.98 -158.37 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t0 61.3 -83.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt 174.98 85.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 1.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 34.41 1.37 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.965 1.416 . . . . 1.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -67.17 138.4 94.61 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 48' ' ' LEU . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 28' ' ' THR . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.776 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.776 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -137.91 -68.98 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 95.78 -47.89 1.85 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 75.49 80.0 0.58 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -170.0 93.51 0.24 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.998 1.058 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' O ' ' C ' ' A' ' 49' ' ' GLY . 3.5 tp 75.81 -37.05 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -21.05 129.86 0.01 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 -75.94 -167.93 0.81 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER 56.41 20.75 4.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.97 154.73 0.05 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.43 -77.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.48 2.787 . . . . 1.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -82.89 104.65 13.27 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.004 1.44 . . . . 1.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.1 159.15 10.43 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.387 0 O-C-N 125.014 1.067 . . . . 1.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -45.53 135.34 6.49 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.028 1.455 . . . . 1.0 109.313 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 66.51 102.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.449 . . . . 1.0 109.272 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.29 -82.9 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.061 1.476 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 165.62 -46.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 2.1 t0 83.62 -158.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.044 1.465 . . . . 1.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -45.07 168.0 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.439 . . . . 1.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.1 -44.67 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.19 163.85 12.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt 62.6 130.75 0.03 OUTLIER Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.98 1.425 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.682 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.632 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.69 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.632 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.614 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.4 t80 -162.77 48.41 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -64.88 61.32 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -164.66 174.92 40.7 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -124.86 -44.79 1.92 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.994 1.055 . . . . 1.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -100.19 33.2 2.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.7 -164.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 -71.21 -166.93 0.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.068 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 58.94 176.76 0.07 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -178.64 -78.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.104 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -79.18 2.37 8.37 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.477 2.784 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 t30 69.43 161.91 0.22 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.65 117.54 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.002 1.06 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 67.5 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.493 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 77.32 74.83 0.07 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.073 1.483 . . . . 1.0 109.304 -179.803 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -57.11 -177.12 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.297 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.6 37.71 1.55 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.035 1.459 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.4 t0 178.77 113.01 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.055 1.472 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -168.74 60.31 0.06 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.72 -48.78 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.038 1.461 . . . . 1.0 109.356 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -153.15 75.84 1.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.949 1.405 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.15 162.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 1.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -57.78 146.36 67.03 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.638 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 -152.09 94.16 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . -44.35 -42.85 7.25 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 107.04 -70.34 0.21 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 60.7 m -7.77 -97.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.059 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -99.0 -95.02 0.24 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.008 1.442 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.46 -160.55 53.8 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 48.8 p30 -124.03 -167.91 1.71 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 47.54 60.7 3.33 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.81 -147.1 0.07 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -164.45 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.533 2.822 . . . . 1.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -79.84 151.62 30.14 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.98 -49.73 0.85 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.345 0.408 0 O-C-N 125.022 1.072 . . . . 1.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 t0 . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.369 -0.824 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -74.32 90.98 2.15 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 1.0 109.301 -179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -171.87 121.56 0.48 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 1.0 109.349 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -155.33 129.57 8.9 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.987 1.429 . . . . 1.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -138.14 -176.87 4.59 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.952 1.407 . . . . 1.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -96.29 48.06 1.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -139.29 43.27 2.03 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.018 1.448 . . . . 1.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -27.1 12.38 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.024 1.453 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.2 mt -83.54 54.29 2.8 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -151.73 149.82 24.82 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 1.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.658 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.709 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 5.3 t80 -169.76 43.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' CYS . . . -42.48 -22.64 0.14 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -69.63 162.8 52.1 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 2.9 m -121.72 2.5 10.06 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.015 1.068 . . . . 1.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.83 38.2 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' CA ' ' OD2' ' A' ' 19' ' ' ASP . . . -61.73 -152.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 -56.43 -167.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.068 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.709 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 2.2 t30 -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.73 -179.59 0.1 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.67 -147.75 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 61.94 5.86 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.502 2.801 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 61.81 144.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.049 1.468 . . . . 1.0 109.256 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.44 65.11 1.97 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 109.24 -1.544 . . . . 1.0 109.24 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 1.2 t80 . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.986 1.051 . . . . 1.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.415 -0.802 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.9 m-85 80.7 27.42 0.24 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.433 . . . . 1.0 109.333 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.28 179.17 7.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.308 -179.417 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -64.66 -161.49 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -117.06 169.6 9.3 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.024 1.453 . . . . 1.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.01 47.93 2.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.5 p30 -166.36 -166.11 0.85 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.951 1.407 . . . . 1.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.0 ttpt 91.7 26.97 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.24 38.27 28.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.948 1.405 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 155.02 64.43 Favored Pre-proline 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.599 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.729 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.634 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.729 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.757 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 4.8 t80 -160.12 104.12 1.48 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -57.42 -36.29 76.1 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 82.53 -72.96 2.73 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 35.8 m -14.41 -62.95 0.01 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.002 1.06 . . . . 1.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -123.21 -87.13 0.64 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.003 1.439 . . . . 1.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.42 -161.92 33.94 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.253 -1.539 . . . . 1.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 -122.9 -157.47 0.75 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.067 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.757 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t-20 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 39' ' ' CYS . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.51 170.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.18 168.62 19.25 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.26 -15.12 25.54 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.493 2.795 . . . . 1.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -71.95 -13.91 61.77 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.001 1.438 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.64 40.95 36.76 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.001 1.059 . . . . 1.0 109.304 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.239 0.51 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -102.67 100.69 10.76 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 1.0 109.29 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.5 140.76 55.69 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.016 1.447 . . . . 1.0 109.301 -179.451 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 177.64 -82.57 0.0 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -150.36 146.51 26.77 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.047 1.467 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -153.45 178.39 9.86 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.056 1.472 . . . . 1.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.61 -83.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.6 OUTLIER 175.6 173.63 0.29 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -99.93 178.6 4.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.421 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -36.38 147.89 0.18 Allowed Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.947 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.686 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.557 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 39' ' ' CYS . 1.7 pt20 -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 -106.98 96.68 6.6 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' O ' ' SG ' ' A' ' 23' ' ' CYS . . . -38.79 -44.97 1.98 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.548 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 68.33 92.82 0.05 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.947 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -165.68 -58.95 0.03 OUTLIER 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.988 1.052 . . . . 1.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.43 26.99 0.58 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.5 -149.18 0.02 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -140.86 -177.82 5.26 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.034 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG2' ' SG ' ' A' ' 39' ' ' CYS . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 97.12 166.49 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.7 0.06 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' O ' ' CE1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -74.58 -164.37 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.527 2.818 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 46.5 m-20 55.75 -84.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 173.31 -38.66 0.14 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.416 0 O-C-N 124.963 1.037 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -53.19 5.23 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.994 1.434 . . . . 1.0 109.275 -179.8 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.58 27.14 16.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.015 1.447 . . . . 1.0 109.31 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 4' ' ' ASP . 23.3 p-10 178.63 107.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.021 1.451 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.75 89.96 3.15 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 40.71 34.94 0.28 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.9 t70 60.55 151.91 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.958 1.412 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 91.8 -172.48 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -122.54 132.53 54.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.312 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -106.38 151.18 40.21 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.664 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.753 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.753 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.53 ' CD2' HD13 ' A' ' 27' ' ' ILE . 1.8 t80 -132.02 58.27 1.75 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.64 69.04 0.11 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -172.33 169.35 42.47 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.664 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.6 m -108.39 -11.36 15.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.027 1.075 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.26 72.26 0.04 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.021 1.451 . . . . 1.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.25 -136.08 0.15 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 -85.88 -166.78 1.63 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.076 . . . . 1.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER 94.23 -31.93 0.02 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.54 170.55 13.22 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.56 121.27 6.27 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.584 2.856 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 m120 36.26 89.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.48 -117.9 5.87 Favored Glycine 0 C--N 1.344 1.02 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 66' ' ' ASP . 2.4 m-85 . . . . . 0 C--N 1.346 0.425 0 O-C-N 124.989 1.053 . . . . 1.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 . . . . . 0 C--O 1.24 0.591 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -170.86 166.07 7.74 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 1.0 109.325 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 155.55 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.302 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.1 t0 -109.64 -75.59 0.62 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 4.0 t0 86.15 107.53 0.05 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 1.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -53.43 -27.06 22.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.955 1.409 . . . . 1.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.8 81.81 0.04 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.971 1.42 . . . . 1.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.15 -91.68 0.13 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.021 1.451 . . . . 1.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 73.14 -155.73 0.08 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -138.12 148.78 61.34 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.03 1.457 . . . . 1.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 49' ' ' GLY . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.722 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.722 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 -120.58 49.1 1.49 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.59 59.82 0.12 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.479 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -148.97 146.14 15.24 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m -91.72 19.14 6.71 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.017 1.069 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.78 -49.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 21' ' ' GLY . . . 52.05 -154.47 5.06 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 -104.27 -165.45 1.15 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.079 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE3' ' CD2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 47.85 96.51 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.25 162.45 0.03 OUTLIER Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.32 14.01 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.53 2.82 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -44.76 -28.78 0.67 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.452 . . . . 1.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.77 124.39 4.44 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 . . . . . 0 C--N 1.346 0.427 0 O-C-N 125.021 1.071 . . . . 1.0 109.242 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.06 138.4 40.64 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.0 1.438 . . . . 1.0 109.301 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' CA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -62.28 -59.79 4.51 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 1.0 109.301 -179.438 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.33 124.4 45.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.021 1.451 . . . . 1.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.04 162.23 0.13 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.961 1.413 . . . . 1.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 -167.42 2.38 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.018 1.449 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.14 73.75 0.05 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.013 1.446 . . . . 1.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 28.03 9.12 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tt -87.28 152.8 21.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.986 1.429 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -115.32 132.48 23.06 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' C ' ' A' ' 49' ' ' GLY . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.613 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 -120.92 83.28 2.04 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 20' ' ' PRO . . . -33.2 -36.5 0.04 OUTLIER Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . 57.74 90.14 0.01 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 m -172.01 -42.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.98 1.047 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.22 45.69 0.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.036 1.46 . . . . 1.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' OD2' ' A' ' 19' ' ' ASP . . . -82.84 -141.06 3.95 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.258 -1.537 . . . . 1.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -138.82 -166.39 2.01 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.05 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 14' ' ' CYS . 3.5 t-20 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.62 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.28 156.23 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.63 -174.99 24.9 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.71 -75.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.523 2.815 . . . . 1.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 71' ' ' PHE . 12.1 m120 -51.2 141.03 15.34 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.069 1.48 . . . . 1.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.73 -96.07 0.01 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' ASN . 1.3 t80 . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.051 1.089 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 3.6 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.392 -0.813 . . . . 1.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.489 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' THR . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.702 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' HB2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.661 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.802 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.802 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.465 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.567 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.719 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE2' HG23 ' A' ' 36' ' ' THR . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.719 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.419 -0.8 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 . . . . . 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 21' ' ' GLY . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.725 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' O ' HD11 ' A' ' 57' ' ' LEU . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.328 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.725 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.8 p30 . . . . . 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.346 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' HG3' ' A' ' 29' ' ' ARG . 2.0 t80 . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.51 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 . . . . . 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.354 -0.831 . . . . 1.0 109.33 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.758 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.45 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.758 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 11.4 p-10 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 t-20 -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.534 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.8 p30 . . . . . 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.376 -0.821 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' THR . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.772 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.3 t80 . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' CYS . 6.3 p-10 . . . . . 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 . . . . . 0 C--O 1.239 0.523 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 . . . . . 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.419 -0.801 . . . . 1.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.65 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.435 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' C ' HG12 ' A' ' 22' ' ' ILE . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.733 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.82 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.82 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 21.1 p30 . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.418 -0.801 . . . . 1.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.733 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD21 ' HZ2' ' A' ' 61' ' ' LYS . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 . . . . . 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.353 -0.832 . . . . 1.0 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 28' ' ' THR . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.699 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.613 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' OD1' ' A' ' 53' ' ' ASN . 1.3 t80 . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.423 -0.799 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' OE1' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.506 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.391 -0.814 . . . . 1.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.642 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 50' ' ' ASN . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' THR . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.788 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.561 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.788 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . 48.2 p-10 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.641 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' ILE . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.688 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.688 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.614 ' HE2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 56' ' ' THR . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 . . . . . 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.296 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.558 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' O ' HD11 ' A' ' 57' ' ' LEU . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.767 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 . . . . . 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.374 -0.822 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 28' ' ' THR . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.741 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.741 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.421 -0.8 . . . . 1.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.555 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 3.9 t-20 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.518 0 CA-C-O 118.397 -0.811 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.707 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.675 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 6.1 p-10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 118.435 -0.793 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.707 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.41 -0.805 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.2 t80 . . . . . 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.507 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.375 -0.822 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ARG . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.63 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.648 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.7 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.567 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.7 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 . . . . . 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 27.4 p30 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.648 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CG ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.652 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 21' ' ' GLY . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.781 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 6.3 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.434 -0.793 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 53' ' ' ASN . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.559 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.728 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.304 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ILE . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.745 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.524 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.745 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 . . . . . 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.504 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 29.5 p-10 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 . . . . . 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.421 -0.799 . . . . 1.0 109.339 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 28' ' ' THR . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.776 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.776 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.463 -0.779 . . . . 1.0 109.259 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.558 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.413 -0.803 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.682 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.632 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.69 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.632 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.614 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.4 t80 . . . . . 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.444 -0.789 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.338 -0.839 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.638 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 . . . . . 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 48.8 p30 . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.441 -0.79 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 1.1 t30 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.658 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.3 t80 . . . . . 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.451 -0.785 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.556 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.599 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.729 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.634 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.729 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OD1' ' A' ' 53' ' ' ASN . 4.8 t80 . . . . . 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.361 -0.828 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t30 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 39' ' ' CYS . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.365 -0.826 . . . . 1.0 109.292 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' ILE . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.686 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.557 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.24 0.592 0 CA-C-O 118.394 -0.812 . . . . 1.0 109.315 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG2' ' SG ' ' A' ' 39' ' ' CYS . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.355 -0.831 . . . . 1.0 109.328 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.753 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.753 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.53 ' CD2' HD13 ' A' ' 27' ' ' ILE . 1.8 t80 . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 . . . . . 0 C--O 1.24 0.561 0 CA-C-O 118.38 -0.819 . . . . 1.0 109.363 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.286 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.591 ' O ' ' C ' ' A' ' 24' ' ' ARG . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.722 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.722 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.447 -0.787 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE3' ' CD2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 . . . . . 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.408 -0.806 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.613 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 . . . . . 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.412 -0.804 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 9.1 t30 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.62 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.528 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.24 0.56 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 65.63 -152.08 0.25 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 177.93 6.21 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.015 1.447 . . . . 1.0 109.292 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.61 76.23 0.42 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.016 1.448 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 25.3 m-20 -62.84 178.6 0.44 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 1.6 m-20 82.12 -58.69 0.21 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LYS . 15.7 t0 -73.77 61.15 0.74 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.951 1.407 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 35.27 45.83 0.22 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 36.59 80.84 0.03 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.997 1.436 . . . . 1.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' CD ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -109.95 149.45 40.03 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.994 1.433 . . . . 1.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -71.58 106.59 1.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.484 2.79 . . . . 1.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 20.5 t70 -63.16 -29.81 71.08 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.996 1.435 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.4 p90 -56.96 -26.65 60.19 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.06 1.475 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 13.1 m -65.06 -38.41 90.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.967 1.417 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -78.84 -4.22 48.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 1.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 134.2 44.28 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 1.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.93 158.98 0.11 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.977 1.423 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -69.79 142.0 53.25 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.1 t0 -140.73 105.02 6.32 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.051 1.47 . . . . 1.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.15 -45.86 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.519 2.812 . . . . 1.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.01 -151.36 19.08 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.02 -57.76 4.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.031 1.077 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 1.7 p -59.38 108.29 0.69 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -71.25 61.67 0.31 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . -78.38 -42.73 14.04 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' TYR . 13.2 m-30 64.82 124.9 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.963 1.037 . . . . 1.0 109.267 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mt -146.41 21.93 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.981 1.426 . . . . 1.0 109.307 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m 46.34 76.95 0.09 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 53.5 mmt-85 -101.89 -178.92 3.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.978 1.424 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -130.57 155.95 45.66 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.042 1.464 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 p90 -155.39 148.97 25.16 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.012 1.445 . . . . 1.0 109.267 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.595 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.6 t80 -80.93 99.6 8.46 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.943 1.402 . . . . 1.0 109.279 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -87.94 126.28 34.97 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -68.89 -23.97 64.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.64 -36.46 56.72 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.019 1.449 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LYS . 81.6 p -125.12 20.49 8.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 32.91 54.56 0.4 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.0 1.438 . . . . 1.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.4 179.06 4.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 84.5 m -85.25 122.2 29.08 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.037 1.461 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.57 145.51 41.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.008 1.442 . . . . 1.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtp180 -77.49 114.66 16.55 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.934 1.396 . . . . 1.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 4.4 p90 -125.88 151.16 47.26 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.995 1.434 . . . . 1.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -65.75 157.98 28.8 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 3.6 t80 -133.67 125.91 29.66 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 1.0 109.319 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 23' ' ' CYS . . . -73.84 -67.74 1.72 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 135.46 -108.08 0.67 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.626 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.8 p -10.08 -97.17 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.969 1.04 . . . . 1.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' O ' ' A' ' 46' ' ' GLY . 4.2 tp -61.28 -132.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.69 -152.67 17.18 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.263 -1.535 . . . . 1.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 30.8 p-10 -151.77 -155.07 0.58 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.058 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASN . 30.8 mmm -87.53 -56.74 3.23 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.028 1.455 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -60.13 76.46 0.01 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.965 1.416 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' MET . 17.3 t30 -153.79 66.4 0.74 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.016 1.447 . . . . 1.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD1' ' SG ' ' A' ' 60' ' ' CYS . 72.0 m-85 -73.52 171.16 13.69 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 38.5 mt-10 -106.29 -35.6 7.11 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -120.17 145.92 46.5 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 10.9 tp -57.69 -51.78 68.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 1.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.67 -35.07 60.65 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.02 1.45 . . . . 1.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -46.65 71.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.434 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.23 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 40.2 t -67.56 -27.08 66.65 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -78.58 -51.12 10.38 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.072 1.482 . . . . 1.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -53.62 -42.06 67.35 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.95 1.406 . . . . 1.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 10.3 mm -77.37 -54.84 12.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 m -79.5 -82.4 0.1 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.433 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 7.3 mt-10 -37.34 -29.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.6 p30 38.35 73.64 0.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.446 . . . . 1.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.31 -68.08 1.78 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.2 Cg_endo -73.55 64.54 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.487 2.792 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER 42.84 -88.35 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.055 1.472 . . . . 1.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -64.56 -127.06 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CG ' ' C ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.965 1.038 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.399 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.28 63.22 6.36 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.052 1.47 . . . . 1.0 109.313 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.79 -43.68 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.986 1.429 . . . . 1.0 109.328 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 13.3 t0 -124.23 147.51 48.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 14.6 t0 92.89 -26.24 0.04 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.53 -72.28 0.09 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 1.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -174.1 154.96 2.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.9 mmmp? -112.6 28.9 8.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LYS . 1.5 pp 33.19 36.76 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -133.27 157.33 78.47 Favored Pre-proline 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -75.96 103.16 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.475 2.783 . . . . 1.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -33.04 72.83 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.979 1.424 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 5.4 p90 -54.12 -29.97 47.08 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 56.5 m -64.83 -39.18 93.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.55 -2.24 34.66 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.023 1.452 . . . . 1.0 109.249 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 145.1 33.83 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.046 1.466 . . . . 1.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.3 173.27 0.04 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 1.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -82.39 144.62 30.39 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.489 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 22.2 t0 -140.64 101.12 6.63 Favored Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' TYR . 18.1 Cg_endo -73.45 -86.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.506 2.804 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.85 139.28 3.19 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG13 ' CD1' ' A' ' 48' ' ' LEU . 1.5 mt -46.87 -26.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.008 1.063 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 98.4 m -75.81 -114.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.044 1.465 . . . . 1.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.629 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -167.54 -78.64 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 26' ' ' TYR . . . 55.73 -86.29 0.01 OUTLIER Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 6.6 m-30 82.8 112.93 0.06 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.09 . . . . 1.0 109.323 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' ILE . 13.3 mt -137.17 20.08 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 1.0 109.308 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' THR . 17.2 m 53.98 67.18 1.05 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.061 1.476 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 24.7 mmt85 -91.32 170.51 9.92 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.702 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 20.4 m-85 -123.49 155.77 36.89 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.0 p90 -152.77 141.55 21.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.4 t80 -76.34 108.28 9.18 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -93.31 118.2 30.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.04 -27.51 68.85 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.981 1.426 . . . . 1.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.72 -42.09 34.0 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -111.03 -8.33 14.46 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 1.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 49.28 3.29 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.018 1.449 . . . . 1.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.85 173.9 6.82 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.6 m -76.32 128.08 34.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.02 1.45 . . . . 1.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.48 135.63 54.7 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.053 1.47 . . . . 1.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.3 mtp180 -66.21 144.09 56.85 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.2 p90 -161.98 149.93 14.71 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -62.27 -166.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' HB2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -158.7 -112.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.035 1.459 . . . . 1.0 109.255 -179.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 142.26 -69.8 0.43 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.45 -81.95 0.35 Allowed Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.633 ' C ' ' O ' ' A' ' 46' ' ' GLY . 5.3 m -9.7 -69.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.061 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -121.06 -163.65 1.05 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.044 1.465 . . . . 1.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.33 -147.03 19.0 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.9 p30 -145.87 -157.37 0.79 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.047 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -90.16 -45.2 9.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.996 1.435 . . . . 1.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.59 64.75 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.976 1.423 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.1 t30 -144.39 80.07 1.63 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.032 1.457 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.661 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.9 m-85 -83.9 -174.17 5.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.983 1.427 . . . . 1.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.1 mt-10 -116.86 -33.64 4.71 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -120.49 157.13 30.05 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.445 . . . . 1.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 tp -70.41 -48.01 58.12 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 1.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.42 -35.17 73.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 11.5 tt0 -69.64 -47.71 62.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.037 1.46 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 3.0 t -62.29 -30.42 71.12 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.009 1.443 . . . . 1.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 15.4 mttt -80.46 -44.84 18.56 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.956 1.41 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.16 -41.87 68.98 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.411 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.0 mp -76.64 -51.67 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.8 m -83.38 -82.25 0.15 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.949 1.406 . . . . 1.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -35.7 -32.89 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.449 . . . . 1.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.53 175.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.05 -167.0 39.54 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.41 54.95 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.495 2.797 . . . . 1.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -27.06 15.7 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.46 41.63 1.03 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 66' ' ' ASP . 4.0 m-85 . . . . . 0 C--N 1.345 0.398 0 O-C-N 124.984 1.049 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 118.407 -0.806 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.56 100.33 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.031 1.457 . . . . 1.0 109.313 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -88.81 -28.6 20.33 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.972 1.42 . . . . 1.0 109.328 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -157.08 164.12 38.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.08 90.36 4.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.982 1.427 . . . . 1.0 109.25 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -119.5 142.75 48.02 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 1.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.4 130.97 20.49 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -50.22 -34.76 23.97 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.997 1.436 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 4.2 mt -141.32 -118.38 0.11 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.975 1.422 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 156.61 78.17 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.997 1.436 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.602 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.62 105.81 2.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.03 -28.21 69.94 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.958 1.412 . . . . 1.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.25 -26.84 61.42 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.998 1.436 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 19.3 m -64.02 -37.61 88.04 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.986 1.429 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.25 15.5 10.31 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.974 1.421 . . . . 1.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -85.58 127.2 34.38 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -39.97 135.81 1.24 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 4.1 pt-20 -59.32 131.62 51.54 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 5.3 t0 -128.83 97.47 26.95 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.043 1.465 . . . . 1.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -70.91 -26.94 21.61 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.493 2.795 . . . . 1.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.83 147.43 22.08 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.331 -1.507 . . . . 1.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -31.66 -78.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.992 1.054 . . . . 1.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 p -33.93 151.61 0.01 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -107.34 38.43 2.13 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.426 . . . . 1.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' ILE . . . -74.39 61.32 2.33 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 13.1 m-30 -48.76 153.71 0.79 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.051 . . . . 1.0 109.288 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.5 mt -153.24 22.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 1.0 109.31 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 40.05 57.46 2.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.1 mmt180 -89.05 -177.49 5.46 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.966 1.416 . . . . 1.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.802 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.6 m-85 -129.52 152.05 49.47 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.962 1.414 . . . . 1.0 109.334 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 7.4 p90 -150.03 143.42 25.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.058 1.474 . . . . 1.0 109.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 23.0 t80 -78.38 114.04 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.968 1.417 . . . . 1.0 109.31 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.7 120.45 40.95 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.964 1.415 . . . . 1.0 109.276 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -63.4 -28.15 69.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.987 1.43 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -44.63 43.44 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 56.1 p -114.3 21.16 14.92 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.2 mppt? 32.73 52.41 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.914 1.384 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.47 176.99 4.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.458 . . . . 1.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 58.2 m -82.41 131.63 35.22 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.994 1.434 . . . . 1.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 4.7 mm-40 -117.36 135.31 53.95 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.026 1.454 . . . . 1.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.802 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -69.92 116.76 10.67 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -137.32 148.97 46.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.959 1.412 . . . . 1.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.91 138.21 38.0 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' OD1' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -104.7 104.91 14.79 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.036 1.46 . . . . 1.0 109.265 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 20' ' ' PRO . . . -41.31 -54.44 3.89 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.284 -1.526 . . . . 1.0 109.284 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' CYS . . . 125.9 -37.81 2.4 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 66.1 m -51.73 -176.48 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.039 1.082 . . . . 1.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' C ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.0 -21.37 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.027 1.454 . . . . 1.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' HD22 ' A' ' 48' ' ' LEU . . . 31.23 -102.41 0.01 OUTLIER Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 36.3 p-10 -172.09 -157.51 0.11 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.059 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.465 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 4.7 mpp? -80.61 -84.79 0.1 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.6 t-20 -30.56 98.51 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.42 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.567 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -171.66 90.39 0.12 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 1.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 70.4 m-85 -102.85 -176.62 3.14 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.067 1.479 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -114.81 -36.32 4.53 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.448 . . . . 1.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.53 147.45 42.77 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.005 1.441 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 9.7 tp -61.29 -51.28 69.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.055 1.472 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.08 -35.93 69.98 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 4.8 tt0 -66.45 -48.0 71.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 3.8 t -60.57 -32.09 71.19 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.03 1.456 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 66' ' ' ASP . 21.8 mttt -78.87 -41.42 29.95 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.99 1.431 . . . . 1.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -51.04 64.76 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.89 -44.28 51.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.037 1.461 . . . . 1.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 58.3 m -84.5 -90.92 0.09 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -31.54 -36.71 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.32 163.88 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' PHE . . . -161.21 -176.01 32.85 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.18 -38.3 1.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.519 2.813 . . . . 1.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -55.1 27.39 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 1.0 109.371 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.66 -39.6 7.59 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.993 1.055 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 2' ' ' TYR . 2.7 p30 . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.411 -0.804 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 1' ' ' ASP . 47.7 m-85 -151.97 -72.78 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.306 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 68.27 -98.47 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 1.0 109.339 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 5.4 t0 -154.18 31.01 0.44 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.029 1.456 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 86.35 15.73 0.12 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.021 1.451 . . . . 1.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -158.37 0.12 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.86 137.38 26.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.989 1.431 . . . . 1.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -48.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.981 1.425 . . . . 1.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.66 -8.93 46.84 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.22 148.02 1.17 Allowed Pre-proline 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -69.4 104.97 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.45 2.766 . . . . 1.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -61.7 -29.61 70.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.429 . . . . 1.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.5 p90 -55.75 -28.3 55.21 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.983 1.427 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.8 m -63.36 -39.36 94.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 1.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 9.9 m-85 -79.55 -1.65 38.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.39 125.81 29.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.11 147.46 1.05 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.7 pt-20 -65.37 148.07 52.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.967 1.417 . . . . 1.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.72 107.95 3.77 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.35 -28.12 3.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.499 2.8 . . . . 1.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.07 -139.86 15.22 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -108.91 -82.58 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.92 1.012 . . . . 1.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.032 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.9 p -24.76 117.48 0.05 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.997 1.436 . . . . 1.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' O ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -40.72 -68.9 0.15 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 26.12 56.29 0.07 OUTLIER Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.244 -1.542 . . . . 1.0 109.244 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 17.7 m-30 -72.15 133.38 45.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.01 1.065 . . . . 1.0 109.297 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -148.91 133.19 8.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.993 1.433 . . . . 1.0 109.313 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -58.09 80.03 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.032 1.458 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 28.2 mmt180 -102.96 157.09 17.21 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.007 1.442 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.719 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 31.1 m-85 -115.36 161.7 18.15 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 1.0 109.287 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -156.72 140.48 16.08 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.034 1.458 . . . . 1.0 109.312 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.9 t80 -74.94 100.74 4.21 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.418 . . . . 1.0 109.273 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -88.79 126.2 35.24 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.265 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.49 -22.84 65.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.036 1.46 . . . . 1.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -50.5 -44.77 56.16 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' OE2' ' A' ' 40' ' ' GLU . 43.4 p -119.15 21.08 12.46 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.991 1.432 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.1 OUTLIER 35.5 49.96 0.54 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.66 -168.01 2.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 68.8 m -100.86 117.42 34.89 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE2' HG23 ' A' ' 36' ' ' THR . 15.3 mt-10 -108.87 149.09 29.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.459 . . . . 1.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.719 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.86 143.69 35.7 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.041 1.463 . . . . 1.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -162.15 160.33 27.05 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.021 1.451 . . . . 1.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -75.63 -166.49 0.55 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -153.83 -99.09 0.04 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . 134.86 -60.12 0.65 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.269 -1.533 . . . . 1.0 109.269 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 92.82 70.77 1.16 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.032 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.7 p -171.04 83.03 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.983 1.049 . . . . 1.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 71.36 -56.35 0.63 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.352 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . 25.5 -110.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CG ' ' N ' ' A' ' 51' ' ' MET . 18.9 p-10 -171.11 -154.42 0.1 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.073 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -94.87 -139.48 0.23 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.015 1.447 . . . . 1.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' MET . 35.2 t30 27.11 58.17 0.08 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.982 1.426 . . . . 1.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -136.58 70.19 1.41 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.046 1.466 . . . . 1.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 81.7 m-85 -78.84 173.58 12.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.971 1.419 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 29' ' ' ARG . 25.8 mt-10 -106.08 -37.57 6.57 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.944 1.402 . . . . 1.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.45 157.4 29.43 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.04 1.463 . . . . 1.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 12.5 tp -65.07 -52.94 52.81 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.44 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.81 -29.74 41.96 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.919 1.387 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -47.48 52.09 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.001 1.438 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 39.2 t -68.83 -27.59 65.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.05 -52.6 8.0 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.941 1.401 . . . . 1.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' OD1' ' CZ ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -53.34 -41.58 65.91 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.027 1.454 . . . . 1.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.2 mm -77.16 -53.42 14.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.45 . . . . 1.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 23.4 m -81.76 -83.3 0.12 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.9 mt-10 -35.39 -32.22 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.445 . . . . 1.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.5 p-10 47.42 64.63 1.52 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.031 1.457 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' CD2' ' A' ' 71' ' ' PHE . . . -36.23 150.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -71.53 160.17 49.17 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.555 2.837 . . . . 1.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.55 92.32 0.01 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.929 1.393 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.15 -50.49 0.86 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' CZ ' ' OD1' ' A' ' 62' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 124.954 1.032 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.436 -0.792 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -48.96 161.55 0.14 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 1.0 109.33 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.41 27.81 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.048 1.468 . . . . 1.0 109.298 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 164.18 -76.61 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.063 1.477 . . . . 1.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 p30 163.49 176.33 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.052 1.47 . . . . 1.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -37.11 147.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.006 1.441 . . . . 1.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -176.56 -83.4 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.941 1.401 . . . . 1.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? 172.2 100.04 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.025 1.453 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.88 -6.16 39.75 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.989 1.431 . . . . 1.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 87.24 146.9 0.07 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.619 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -66.01 100.1 0.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.511 2.807 . . . . 1.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.6 t70 -58.17 -31.95 67.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.974 1.421 . . . . 1.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.3 p90 -54.29 -35.5 62.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.979 1.424 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 34.6 m -56.11 -38.86 71.33 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.993 1.433 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.5 m-85 -82.15 -17.8 45.05 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.992 1.433 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 50' ' ' ASN . 2.8 tm? -56.85 124.57 18.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LEU . 9.8 pt-20 -35.47 152.09 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.96 1.412 . . . . 1.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 6.9 pt-20 -75.73 116.34 16.34 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 5.2 t70 -112.29 101.53 52.34 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -80.15 77.18 4.17 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.481 2.787 . . . . 1.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 46.21 -174.59 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 21' ' ' GLY . 1.1 mp -109.22 -20.26 6.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.982 1.048 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 34.9 m -100.57 -89.29 0.34 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -170.89 -175.87 1.87 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.543 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 123.74 63.8 0.2 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 13.6 m-30 -68.12 126.23 28.87 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.974 1.044 . . . . 1.0 109.326 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mt -128.22 18.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.981 1.426 . . . . 1.0 109.261 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 28' ' ' THR . 1.9 m 48.72 57.88 5.88 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.968 1.417 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.725 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.8 mmt180 -85.04 179.15 7.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -126.89 159.13 34.88 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.438 . . . . 1.0 109.327 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 8.7 p90 -152.34 155.06 36.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.299 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.9 t80 -86.28 97.28 10.3 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.322 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -83.16 125.22 31.29 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 38.7 t30 -69.85 -25.12 63.58 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -36.41 60.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.932 1.395 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LYS . 71.4 p -122.53 19.39 10.42 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.034 1.459 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.37 52.37 0.37 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.002 1.439 . . . . 1.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.86 -167.93 1.65 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.945 1.403 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' O ' HD11 ' A' ' 57' ' ' LEU . 59.6 m -98.44 120.61 39.17 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 6.6 mm-40 -111.29 143.23 42.4 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.735 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -71.36 148.17 47.28 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -173.23 158.38 3.6 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.949 1.405 . . . . 1.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.49 159.58 22.84 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -109.66 -91.71 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.056 1.472 . . . . 1.0 109.315 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.543 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 130.42 -61.49 0.66 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 74.94 100.12 0.1 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.055 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.56 -42.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.094 . . . . 1.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp -170.5 36.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 -157.69 18.64 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -133.99 -177.99 4.82 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.986 1.051 . . . . 1.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -46.6 -70.05 0.11 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.447 . . . . 1.0 109.351 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' MET . 12.6 t-20 -29.7 97.29 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' MET . 1.5 t30 165.85 92.24 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.017 1.448 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.725 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.2 m-85 -101.69 171.37 7.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.017 1.448 . . . . 1.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.0 mt-10 -99.57 -46.77 5.34 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.88 146.99 35.54 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.971 1.42 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.1 tp -56.94 -51.39 69.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.04 1.462 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.72 -48.63 63.51 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -53.34 -49.03 67.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.5 t -61.23 -27.61 68.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.048 1.467 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -79.63 -50.85 10.05 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 1.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 49.4 t30 -51.19 -47.09 62.3 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 3.2 mp -72.2 -54.03 17.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 27.2 m -81.37 -86.38 0.09 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.437 . . . . 1.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 8.6 mt-10 -30.96 -36.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.02 1.45 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.8 p30 53.55 -166.16 0.08 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.938 1.399 . . . . 1.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . -118.88 169.15 13.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.84 120.66 7.23 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.516 2.811 . . . . 1.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 55.54 63.07 2.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.965 1.415 . . . . 1.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.98 -112.91 4.2 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CE2' ' C ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.988 1.052 . . . . 1.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' A' ' 2' ' ' TYR . 2.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' CE2' ' OD2' ' A' ' 1' ' ' ASP . 1.9 m-85 -131.18 135.7 47.65 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.976 1.422 . . . . 1.0 109.277 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 tptm 65.22 137.46 0.02 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 179.3 -169.29 0.11 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.036 1.46 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 5.7 m-20 -130.04 151.29 50.74 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 3.3 m-20 79.47 92.33 0.05 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.426 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 4.6 t0 84.41 -179.54 0.04 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.9 0.2 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.031 1.457 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.11 -149.64 0.04 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER 65.47 142.88 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.036 1.46 . . . . 1.0 109.346 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -62.81 107.24 0.59 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.52 2.813 . . . . 1.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 14.8 t70 -62.58 -30.08 71.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.5 p90 -56.14 -28.39 57.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 1.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' ' CE1' ' A' ' 13' ' ' PHE . 19.9 m -65.19 -37.66 88.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.944 1.402 . . . . 1.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 2.6 m-85 -85.41 6.68 25.62 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.968 1.417 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 129.32 34.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.021 1.451 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.14 156.78 0.06 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -70.54 143.37 51.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -138.31 97.46 9.53 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -68.77 -14.1 38.37 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.476 2.784 . . . . 1.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 78.03 141.74 1.76 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -27.34 -89.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.972 1.043 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 22' ' ' ILE . 68.4 m -29.1 142.89 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.986 1.429 . . . . 1.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 91.54 3.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 1.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -102.51 -31.35 5.25 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' C ' ' CG1' ' A' ' 27' ' ' ILE . 14.1 m-30 64.23 127.85 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.966 1.039 . . . . 1.0 109.339 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 2.2 mt -153.15 20.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.008 1.443 . . . . 1.0 109.314 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 70.28 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.012 1.445 . . . . 1.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 31.9 mmt180 -98.2 179.37 4.77 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.449 . . . . 1.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -128.1 155.9 43.68 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.984 1.427 . . . . 1.0 109.332 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 11.3 p90 -155.32 139.33 16.39 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.988 1.43 . . . . 1.0 109.305 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 26.9 t80 -75.4 109.32 8.84 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.967 1.417 . . . . 1.0 109.272 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -97.7 121.84 40.08 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.463 . . . . 1.0 109.304 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -67.81 -25.83 65.77 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.052 1.47 . . . . 1.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.54 -39.16 48.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.992 1.433 . . . . 1.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -111.71 -7.95 14.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.047 1.467 . . . . 1.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.51 48.81 3.31 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.044 1.465 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 1.5 tt0 -167.02 -157.92 0.27 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 96.1 m -104.78 130.31 52.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 8.9 mm-40 -114.99 139.07 50.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.771 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.09 110.35 12.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.042 1.463 . . . . 1.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.7 p90 -128.07 140.43 51.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -72.88 140.06 47.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.016 1.447 . . . . 1.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 2.0 t80 -94.77 122.24 37.18 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.433 . . . . 1.0 109.299 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 20' ' ' PRO . . . -64.09 -56.91 15.52 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.343 -1.503 . . . . 1.0 109.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 133.07 -110.69 0.93 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' C ' ' O ' ' A' ' 46' ' ' GLY . 12.6 m -8.48 113.27 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.987 1.051 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 38.07 -113.13 0.11 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.404 . . . . 1.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.28 -111.1 2.51 Favored Glycine 0 C--N 1.346 1.083 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 24.6 p-10 -159.92 -156.18 0.48 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.026 1.074 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -92.73 -72.13 0.61 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -44.56 89.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.0 t-20 -164.66 72.2 0.21 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.001 1.438 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 60.7 m-85 -81.26 -173.59 4.42 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.434 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.533 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 25.4 mt-10 -117.04 -37.52 3.56 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.91 146.08 43.19 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 12.3 tp -59.15 -49.54 77.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.99 1.431 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.01 -36.82 70.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tp10 -65.44 -51.69 58.42 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.03 1.457 . . . . 1.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 t -57.18 -31.95 65.95 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.973 1.421 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 16.9 mttt -80.86 -37.56 29.67 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.003 1.439 . . . . 1.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.61 -48.38 74.98 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.442 . . . . 1.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.36 -53.0 15.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.048 1.467 . . . . 1.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.559 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 60.9 m -74.77 -92.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.421 . . . . 1.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.0 mt-10 -29.46 -38.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 4.7 p30 49.13 26.16 1.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.976 1.422 . . . . 1.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . -36.26 -85.26 0.01 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.339 -1.504 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.81 153.04 42.48 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.539 2.826 . . . . 1.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 1.5 p-10 -59.0 100.22 0.06 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.945 1.403 . . . . 1.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.97 -81.05 0.03 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.391 0 O-C-N 124.961 1.036 . . . . 1.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.61 121.44 45.32 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.964 1.415 . . . . 1.0 109.325 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 70.46 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.966 1.416 . . . . 1.0 109.321 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -176.87 130.61 0.18 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.025 1.453 . . . . 1.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.55 -32.51 22.11 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.29 96.21 9.45 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.74 -72.67 0.68 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.433 . . . . 1.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 33.97 -99.78 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.019 1.449 . . . . 1.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER 170.68 158.54 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.453 . . . . 1.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -174.84 161.5 2.47 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.982 1.427 . . . . 1.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.604 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.65 103.3 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.512 2.808 . . . . 1.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.13 -30.52 70.42 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.079 1.487 . . . . 1.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.8 p90 -55.19 -29.31 57.64 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.43 . . . . 1.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 51.8 m -64.17 -38.11 89.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -85.13 8.07 19.47 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.2 125.82 30.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 1.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.67 140.63 1.24 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.939 1.399 . . . . 1.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -65.3 144.72 56.95 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.005 1.44 . . . . 1.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 11.8 t0 -143.45 106.27 5.1 Favored Pre-proline 0 C--O 1.239 0.53 0 O-C-N 124.963 1.415 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -78.7 -10.69 15.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.485 2.79 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 48' ' ' LEU . . . 78.04 -179.15 51.81 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.68 -38.08 10.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.006 1.062 . . . . 1.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -63.98 100.27 0.3 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.987 1.43 . . . . 1.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -46.94 173.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -67.48 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 4.6 m-30 65.2 118.02 0.02 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.003 1.061 . . . . 1.0 109.319 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' NH2' ' A' ' 29' ' ' ARG . 8.0 mt -143.79 21.68 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.242 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m 47.09 69.62 0.48 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -97.73 171.85 8.06 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.758 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.4 m-85 -123.39 161.88 23.88 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.309 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 6.5 p90 -157.74 146.77 19.6 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 1.0 109.305 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 30.0 t80 -78.93 96.18 5.64 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.032 1.458 . . . . 1.0 109.305 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 26.7 t-20 -84.86 124.36 31.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.31 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.99 -24.31 64.21 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.991 1.432 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -53.92 -32.68 54.39 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' LYS . 62.7 p -126.42 18.78 7.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 34.23 53.77 0.57 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.981 1.426 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.0 177.72 3.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.4 m -81.83 133.89 35.37 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.421 . . . . 1.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 5.2 mt-10 -124.7 144.99 49.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.758 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.9 mtp180 -79.06 116.76 19.56 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.7 p90 -134.33 156.63 48.13 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 1.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -75.24 169.18 18.54 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.992 1.432 . . . . 1.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -127.66 -105.07 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.345 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . 139.96 -71.13 0.44 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 125.67 -129.77 6.98 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -7.57 111.3 0.01 OUTLIER 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.045 1.086 . . . . 1.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 47' ' ' CYS . 3.4 tm? 59.23 131.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.93 -117.81 0.51 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 11.4 p-10 -171.17 -155.95 0.11 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.065 . . . . 1.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASN . 42.5 mmm -98.98 -138.77 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' MET . 33.7 t30 28.15 51.44 0.05 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.968 1.417 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 t-20 -130.48 88.98 2.71 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.003 1.439 . . . . 1.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.0 m-85 -96.09 167.32 11.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.963 1.415 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 32.2 mt-10 -100.02 -29.58 12.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.97 1.419 . . . . 1.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -128.4 152.8 47.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.035 1.46 . . . . 1.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 tp -64.28 -49.05 73.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.46 . . . . 1.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.27 -51.83 56.26 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.967 1.417 . . . . 1.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -54.25 -48.71 70.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.95 1.406 . . . . 1.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 8.9 t -61.44 -27.3 68.46 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.003 1.439 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -80.48 -52.57 7.48 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.032 1.457 . . . . 1.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 41.5 t-20 -52.84 -42.22 64.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mp -74.68 -52.92 17.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.952 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.0 m -84.15 -82.93 0.16 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.534 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.0 mt-10 -34.85 -33.87 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.978 1.424 . . . . 1.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 4.8 p30 45.74 -173.55 0.01 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.99 1.432 . . . . 1.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 68' ' ' PRO . . . -80.52 -72.06 1.24 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 67' ' ' GLY . 18.4 Cg_endo -51.55 -87.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.485 2.79 . . . . 1.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.487 ' CB ' ' HE3' ' A' ' 10' ' ' LYS . 2.6 m120 -62.59 74.3 0.02 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.002 1.438 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 128.0 -154.17 19.7 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 1.3 m-30 . . . . . 0 C--N 1.344 0.369 0 O-C-N 124.959 1.035 . . . . 1.0 109.272 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 3' ' ' LYS . 6.4 t0 . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.402 -0.809 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 0.8 OUTLIER 65.06 -77.23 0.04 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.032 1.457 . . . . 1.0 109.281 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 177.89 -170.2 0.09 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.962 1.414 . . . . 1.0 109.282 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' LYS . 9.5 t70 -36.44 150.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.03 1.456 . . . . 1.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 7' ' ' ASP . 86.2 m-20 -124.21 76.3 1.46 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 1.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 51.48 -86.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.407 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 50.44 -87.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 1.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER 73.31 125.16 0.04 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.74 28.2 16.42 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CE ' ' OD1' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -131.59 139.45 35.29 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 125.026 1.454 . . . . 1.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.611 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -68.19 105.93 1.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.479 2.786 . . . . 1.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 35.4 t0 -62.74 -30.82 71.72 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -54.56 -25.54 26.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.026 1.454 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 38.0 m -64.91 -41.26 95.73 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.998 1.436 . . . . 1.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -82.32 4.41 23.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.15 121.56 25.16 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.01 1.444 . . . . 1.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.05 152.02 0.04 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.027 1.455 . . . . 1.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.3 pt-20 -65.86 138.99 58.26 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.013 1.445 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 33.2 t0 -133.36 97.73 15.93 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.964 1.415 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -73.23 -17.8 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.509 2.806 . . . . 1.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 48' ' ' LEU . . . 112.44 -145.96 18.12 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.41 -38.17 3.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.045 1.085 . . . . 1.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 83.8 m -61.0 -121.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.001 1.438 . . . . 1.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.647 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -166.53 -53.97 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.969 1.418 . . . . 1.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.647 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -2.21 97.79 0.01 OUTLIER Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 18.9 m-85 -86.2 152.73 22.57 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.057 . . . . 1.0 109.291 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mt -143.39 20.52 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.32 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' THR . 21.6 m 40.7 61.91 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.041 1.463 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -90.08 -177.67 5.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.3 m-85 -129.54 155.09 46.34 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.958 1.411 . . . . 1.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.3 p90 -152.9 150.33 29.18 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.955 1.41 . . . . 1.0 109.313 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.3 t80 -83.76 108.3 16.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 50.2 t-20 -97.06 130.53 44.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.947 1.404 . . . . 1.0 109.291 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -68.73 -30.25 68.84 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -29.53 37.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.947 1.404 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 37' ' ' LYS . 7.1 p -125.07 18.59 8.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.958 1.411 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 36' ' ' THR . 27.4 mtmm 30.1 42.1 0.01 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.001 1.438 . . . . 1.0 109.273 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -155.89 -158.7 0.83 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 73.2 m -105.8 127.63 53.22 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.054 1.471 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.8 mt-10 -114.4 144.75 42.8 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.772 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -78.02 114.95 17.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.988 1.43 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.6 p90 -128.36 174.87 8.95 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -99.48 155.22 17.67 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 9.3 t80 -127.67 98.8 5.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.974 1.421 . . . . 1.0 109.306 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -59.74 -18.07 44.45 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 43.99 85.95 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.8 m -168.18 -44.18 0.02 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.052 1.089 . . . . 1.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' C ' ' HA2' ' A' ' 21' ' ' GLY . 0.3 OUTLIER -158.99 29.98 0.21 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.3 -139.73 0.04 OUTLIER Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.55 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 27.4 p30 -147.43 -159.35 1.02 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.992 1.054 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 13' ' ' PHE . 58.2 mtp -67.34 -82.13 0.03 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 18.8 t-20 -30.26 96.64 0.01 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.6 t30 -175.82 69.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.97 1.419 . . . . 1.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 60' ' ' CYS . 52.9 m-85 -81.91 164.35 21.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.0 1.437 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' CD ' ' A' ' 29' ' ' ARG . 3.0 mt-10 -96.55 -25.17 15.73 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.974 1.421 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 p -127.75 144.68 51.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.05 1.469 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 5.3 tp -57.82 -52.24 66.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.73 -50.26 63.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.991 1.432 . . . . 1.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -53.28 -42.17 66.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.287 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 22.2 t -67.43 -28.58 68.01 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 1.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -78.9 -50.56 11.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.075 1.484 . . . . 1.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 6.0 t-20 -51.11 -49.64 60.35 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.015 1.447 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -70.19 -54.94 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.06 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.6 m -77.68 -86.69 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -30.98 -37.8 0.02 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.408 . . . . 1.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 6.3 p-10 47.46 96.06 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.01 1.444 . . . . 1.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.3 -145.07 18.36 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.47 -42.15 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -48.29 175.32 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.22 -78.13 0.04 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.337 -1.505 . . . . 1.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.42 0 O-C-N 124.934 1.02 . . . . 1.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.449 -0.786 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.54 139.59 0.14 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.959 1.412 . . . . 1.0 109.315 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -98.53 127.64 44.54 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.445 . . . . 1.0 109.291 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.4 -83.38 0.03 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.968 1.417 . . . . 1.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 47.0 m-20 46.55 27.42 0.63 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER 67.95 -63.41 0.32 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.988 1.43 . . . . 1.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 44.36 -167.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -98.58 0.31 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.961 1.413 . . . . 1.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -160.73 -131.8 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.458 . . . . 1.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -127.62 140.74 38.89 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -65.29 105.31 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.52 2.814 . . . . 1.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -28.55 69.35 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.0 p90 -57.59 -29.12 64.2 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.996 1.435 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 19.2 m -64.19 -37.25 86.79 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.412 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -86.75 10.85 14.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.057 1.473 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 140.94 28.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.95 1.406 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -52.69 149.16 6.35 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.5 pt-20 -63.91 143.79 57.58 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 58.6 t0 -136.56 106.91 9.17 Favored Pre-proline 0 C--O 1.24 0.601 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.2 Cg_endo -80.11 0.55 9.94 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 57.15 115.42 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -30.36 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.052 . . . . 1.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -163.65 -156.58 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.005 1.44 . . . . 1.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.826 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.56 -42.16 0.15 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.003 1.439 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -33.7 90.09 0.01 OUTLIER Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.826 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.9 m-30 -81.44 146.1 30.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.999 1.058 . . . . 1.0 109.306 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -145.98 23.0 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.0 m 43.85 78.18 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.024 1.453 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.8 mmt85 -101.16 165.69 11.17 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.0 m-85 -120.27 163.71 17.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.964 1.415 . . . . 1.0 109.316 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -158.62 145.47 17.42 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.276 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.5 t80 -76.66 93.1 3.58 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.965 1.415 . . . . 1.0 109.318 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 18.5 t-20 -79.77 119.7 23.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.9 -27.94 68.57 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 1.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -45.94 10.08 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.011 1.445 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -110.56 -8.41 14.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.004 1.44 . . . . 1.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.76 43.1 2.44 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.99 1.431 . . . . 1.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.68 176.77 11.6 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.925 1.391 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 66.9 m -81.66 120.22 24.81 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -113.35 147.02 38.49 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -77.98 128.32 33.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.442 . . . . 1.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.1 p90 -144.09 158.64 43.59 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.002 1.439 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.19 161.72 29.67 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.993 1.433 . . . . 1.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -120.36 -106.9 0.37 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.982 1.426 . . . . 1.0 109.288 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 44' ' ' TYR . . . 139.24 -67.19 0.51 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.321 -1.511 . . . . 1.0 109.321 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.571 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 127.55 -61.67 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.259 -1.536 . . . . 1.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.213 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 79.4 m -27.01 95.36 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.015 1.068 . . . . 1.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.616 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER 11.49 98.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.99 1.431 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -147.96 18.13 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.342 -1.503 . . . . 1.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 38.8 p-10 -101.15 -157.71 0.63 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.001 1.059 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.81 -44.14 6.18 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.056 1.473 . . . . 1.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.27 64.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.433 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 12.9 t30 -143.87 70.7 1.3 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.036 1.46 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.2 m-85 -77.16 171.49 14.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 35.3 mt-10 -102.74 -40.84 6.41 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.013 1.446 . . . . 1.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -114.83 152.91 31.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.983 1.427 . . . . 1.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 8.5 tp -64.63 -52.22 58.52 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.972 1.42 . . . . 1.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.83 -34.1 52.5 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 12.8 tt0 -68.1 -50.88 52.12 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.2 t -62.92 -27.11 69.15 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.054 1.471 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -78.79 -51.26 10.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.042 1.464 . . . . 1.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.5 t-20 -53.23 -41.06 65.02 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.996 1.435 . . . . 1.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.4 mp -77.07 -53.97 13.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.428 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 32.1 m -82.4 -84.65 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.015 1.447 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.9 mt-10 -34.64 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.977 1.423 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.1 p-10 49.44 99.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.435 . . . . 1.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.32 -70.22 1.24 Allowed Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -75.35 80.27 2.55 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.56 2.84 . . . . 1.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 68' ' ' PRO . 8.2 p-10 38.79 -163.35 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 1.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.548 ' O ' ' CD2' ' A' ' 71' ' ' PHE . . . -34.12 -35.27 0.04 OUTLIER Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.026 1.074 . . . . 1.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.449 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.5 OUTLIER 77.52 27.67 0.62 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.479 . . . . 1.0 109.3 -179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 46.69 1.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.332 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -167.63 -83.65 0.02 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.005 1.441 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -162.89 -62.61 0.04 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.6 177.68 0.02 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 1.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 48.79 -176.36 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.04 1.462 . . . . 1.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 89.63 27.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 1.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mt 40.76 91.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.434 . . . . 1.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -112.19 148.83 39.93 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.37 105.99 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.528 2.818 . . . . 1.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 19.7 t0 -62.83 -31.87 72.97 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.958 1.411 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.4 p90 -55.07 -26.42 37.6 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.948 1.405 . . . . 1.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.9 m -66.34 -39.94 89.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.9 m-85 -76.94 -1.37 28.27 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 127.44 32.66 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.003 1.44 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -47.76 145.56 2.74 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.65 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.6 pt-20 -55.83 136.56 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.021 1.451 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 49' ' ' GLY . 19.6 t0 -136.0 102.13 10.2 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -80.12 4.68 6.57 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.472 2.781 . . . . 1.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 90.87 -111.82 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -143.38 -74.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.061 . . . . 1.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 p -53.6 -176.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -151.75 0.21 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.234 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . 107.1 27.17 5.46 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 10.7 m-30 -43.3 147.54 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.06 . . . . 1.0 109.276 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 mt -144.53 19.94 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 28' ' ' THR . 3.3 m 47.8 56.73 6.79 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.041 1.463 . . . . 1.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.733 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.6 mmt85 -85.0 -177.97 6.7 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.82 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.7 m-85 -129.15 154.77 46.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.434 . . . . 1.0 109.32 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.5 p90 -152.1 149.82 29.23 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.962 1.413 . . . . 1.0 109.318 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 33.8 t80 -81.63 103.15 11.14 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 1.0 109.328 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 27.0 t-20 -95.39 128.57 42.35 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -70.02 -24.97 63.37 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.975 1.422 . . . . 1.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -50.21 -37.38 34.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 67.1 p -124.54 22.55 8.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.2 OUTLIER 32.35 52.7 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -167.5 -175.49 2.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 m -89.55 123.17 33.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.996 1.435 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 77.0 mm-40 -109.22 144.55 37.18 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.449 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.82 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -75.65 113.42 13.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -131.8 153.24 50.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -84.95 147.59 26.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -95.39 -98.65 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.992 1.432 . . . . 1.0 109.285 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 25' ' ' GLY . . . 136.39 -69.19 0.52 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 113.95 69.31 0.5 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -166.91 68.44 0.1 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.06 . . . . 1.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 52.06 63.82 2.09 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.986 1.428 . . . . 1.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' ' OD1' ' A' ' 50' ' ' ASN . . . -93.05 70.67 1.5 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' OD1' ' O ' ' A' ' 49' ' ' GLY . 21.1 p30 31.13 -152.62 0.0 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.962 1.036 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 4.7 mpp? -97.65 -69.11 0.77 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.004 1.44 . . . . 1.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 14' ' ' CYS . 16.0 t-20 -32.76 95.31 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.983 1.427 . . . . 1.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' MET . 2.7 t-20 -169.03 94.96 0.33 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.733 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 74.3 m-85 -109.47 173.79 6.16 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 30.2 mt-10 -104.28 -45.51 4.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 1.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -112.51 147.03 37.43 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.956 1.41 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD21 ' HZ2' ' A' ' 61' ' ' LYS . 10.8 tp -57.37 -51.62 68.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.75 -33.95 57.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 6.4 tt0 -67.5 -48.54 66.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.979 1.424 . . . . 1.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 9.0 t -64.63 -29.6 70.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -77.85 -46.27 21.9 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -53.7 -46.98 70.91 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.992 1.432 . . . . 1.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.39 -54.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.965 1.416 . . . . 1.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.2 m -74.45 -88.45 0.03 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.7 mt-10 -32.37 -36.04 0.02 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.01 1.444 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 61' ' ' LYS . 3.0 p30 46.99 40.8 9.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.18 166.96 0.03 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.84 160.89 40.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.495 2.797 . . . . 1.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 51.03 78.92 0.1 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.012 1.445 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.11 -139.41 3.15 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.38 0 O-C-N 125.016 1.068 . . . . 1.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.45 -0.786 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.05 -69.56 0.18 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.975 1.422 . . . . 1.0 109.332 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' ASP . 2.7 mmpt? 74.78 -60.5 0.52 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.002 1.439 . . . . 1.0 109.306 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' LYS . 8.6 t70 -36.13 114.28 0.27 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t0 74.14 -60.82 0.51 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.005 1.44 . . . . 1.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.86 97.09 0.32 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -143.19 27.03 1.62 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.014 1.446 . . . . 1.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 74.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.039 1.462 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -94.52 -113.09 0.11 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.014 1.446 . . . . 1.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -115.1 160.76 32.65 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -74.86 108.26 2.67 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.501 2.801 . . . . 1.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -30.27 71.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.039 1.462 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 6.0 p90 -57.66 -27.73 63.12 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.473 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.6 m -65.66 -36.49 83.83 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.428 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.72 6.76 29.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.938 1.399 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 134.85 34.08 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.437 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 166.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.932 1.395 . . . . 1.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -87.76 136.65 32.86 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -131.84 106.52 14.0 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -81.53 16.19 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.542 2.828 . . . . 1.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.99 -150.58 18.43 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -106.21 -74.15 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.068 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -33.77 119.24 0.38 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -60.56 -122.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 27' ' ' ILE . . . 56.43 60.08 9.59 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.249 -1.541 . . . . 1.0 109.249 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 23.1 m-30 -47.9 145.5 2.91 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.018 1.069 . . . . 1.0 109.291 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -125.74 16.88 4.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 28' ' ' THR . 2.3 m 40.74 69.14 0.35 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.014 1.446 . . . . 1.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.708 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 7.2 mmt180 -98.27 179.2 4.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.038 1.461 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -126.8 155.79 42.29 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.932 1.395 . . . . 1.0 109.311 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.7 p90 -152.09 143.57 23.44 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.996 1.435 . . . . 1.0 109.271 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 17.5 t80 -77.73 114.71 16.85 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.008 1.442 . . . . 1.0 109.285 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -102.76 118.52 37.02 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.065 1.478 . . . . 1.0 109.351 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -59.79 -35.36 74.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.989 1.431 . . . . 1.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -45.16 -48.99 12.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.969 1.418 . . . . 1.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 37' ' ' LYS . 53.8 p -108.93 24.34 13.26 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 1.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.0 mtmt 26.44 54.51 0.05 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CG ' ' HE2' ' A' ' 61' ' ' LYS . 5.0 tt0 -171.18 175.17 4.36 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 63.6 m -78.98 132.87 36.82 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -119.08 133.81 55.58 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.699 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 4.0 ttp180 -71.68 119.11 15.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.025 1.453 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.2 p90 -139.33 145.57 39.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.0 1.438 . . . . 1.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.613 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.25 116.15 18.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.3 t80 -68.22 -49.78 58.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.291 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 24' ' ' ARG . . . 59.97 -67.01 0.01 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -43.2 161.42 0.05 OUTLIER Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -108.81 -16.22 14.21 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.065 . . . . 1.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -158.22 73.41 0.66 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.0 1.438 . . . . 1.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.39 -124.31 4.31 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.326 -1.509 . . . . 1.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 43.8 p30 -90.65 -163.98 1.1 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.055 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 53' ' ' ASN . 5.3 mmm -94.06 -39.41 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.962 1.414 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -63.4 69.59 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' MET . 4.9 t30 -147.78 81.13 1.5 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 76.6 m-85 -86.55 173.37 9.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.044 1.465 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 5.5 mt-10 -108.02 -23.31 12.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -128.21 147.2 50.57 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.932 1.395 . . . . 1.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.6 tp -62.94 -52.19 63.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.959 1.412 . . . . 1.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.37 -45.1 72.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' OE1' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -58.34 -50.51 73.37 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.442 . . . . 1.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 t -56.59 -30.57 63.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.062 1.476 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ASP . 30.5 mttt -79.45 -47.43 15.67 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.438 . . . . 1.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.6 t-20 -51.77 -44.22 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.952 1.408 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.76 -50.43 19.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.034 1.459 . . . . 1.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.7 m -81.08 -85.97 0.09 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.046 1.466 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.506 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -34.01 -34.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.4 p-10 47.4 95.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.43 . . . . 1.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.71 -86.15 0.01 OUTLIER Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 18.4 Cg_endo -74.18 149.27 40.58 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.541 2.827 . . . . 1.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -82.81 55.67 3.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.966 1.416 . . . . 1.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.75 25.12 2.71 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE1' ' HD2' ' A' ' 68' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.011 1.065 . . . . 1.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.461 -0.78 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.425 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 37.1 t80 -164.98 -51.35 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.928 1.392 . . . . 1.0 109.365 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.15 -149.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.255 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASP . 12.0 p-10 -37.17 -48.33 0.84 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.05 1.469 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' OD2' ' CE2' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 57.56 162.14 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.988 1.43 . . . . 1.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 128.65 37.11 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.992 1.433 . . . . 1.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.31 -174.03 3.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.973 1.42 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 77.57 -58.82 0.47 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.069 1.481 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.45 168.11 12.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.953 1.408 . . . . 1.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 63.14 128.93 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.642 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -53.49 114.22 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.509 2.806 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.46 -28.65 70.11 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.03 1.456 . . . . 1.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.4 p90 -55.88 -26.55 47.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.432 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 20.0 m -66.42 -38.51 87.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.961 1.413 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CZ ' ' HE2' ' A' ' 10' ' ' LYS . 12.2 m-85 -83.13 1.0 42.62 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.995 1.435 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 122.06 22.22 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' GLU . 1.2 pm0 -47.54 127.88 11.84 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.927 1.392 . . . . 1.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -33.64 139.8 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.929 1.393 . . . . 1.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 50' ' ' ASN . 6.7 t0 -145.45 92.8 5.48 Favored Pre-proline 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.555 ' CA ' ' O ' ' A' ' 44' ' ' TYR . 18.4 Cg_endo -67.44 -68.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.543 2.828 . . . . 1.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.06 -158.32 28.87 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.37 -27.38 2.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.978 1.046 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -85.46 -109.97 0.05 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.015 1.447 . . . . 1.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -168.3 -177.67 3.32 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.99 1.431 . . . . 1.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 126.49 72.61 0.19 Allowed Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 14.6 m-30 -76.77 136.59 39.01 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.967 1.039 . . . . 1.0 109.308 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.7 mt -134.13 21.04 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.306 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' THR . 8.9 m 50.99 57.22 6.9 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.957 1.411 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.714 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.5 mmt85 -86.99 177.22 7.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 1.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.788 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.6 m-85 -126.4 160.0 31.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.971 1.42 . . . . 1.0 109.327 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 13.8 p90 -155.7 150.09 25.89 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 1.0 109.32 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.561 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 38.6 t80 -83.61 103.52 13.0 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.024 1.452 . . . . 1.0 109.32 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 39.8 t-20 -94.25 122.24 36.59 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.323 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -68.68 -28.51 66.93 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.32 -43.45 7.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.019 1.449 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -111.27 -8.79 14.33 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.924 1.39 . . . . 1.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 66.1 45.18 2.43 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.003 1.44 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -178.53 6.2 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.939 1.399 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 79.5 m -88.27 119.29 28.54 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.978 1.424 . . . . 1.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.04 149.82 26.33 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.029 1.456 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.788 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -83.39 123.6 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.955 1.409 . . . . 1.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 1.1 p90 -142.83 -176.66 4.97 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.029 1.455 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -94.2 -172.01 2.69 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.967 1.417 . . . . 1.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CA ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -139.93 -61.89 0.52 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.075 1.484 . . . . 1.0 109.289 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 88.68 -49.71 3.67 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.307 -1.517 . . . . 1.0 109.307 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 113.94 -74.26 0.23 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.612 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.6 m -13.55 115.52 0.02 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.942 1.025 . . . . 1.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 6.3 tt 31.65 -90.06 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 80.43 -138.6 19.94 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.305 -1.518 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . 48.2 p-10 -146.84 -172.79 4.06 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.065 . . . . 1.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -89.72 -15.55 32.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.994 1.434 . . . . 1.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -83.17 52.88 2.3 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.966 1.416 . . . . 1.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 1.9 t30 -135.14 85.6 2.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.012 1.445 . . . . 1.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 87.3 m-85 -89.85 175.89 7.04 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 18.4 mt-10 -108.33 -40.95 5.0 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.438 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -117.71 149.42 40.78 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.041 1.463 . . . . 1.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.7 tp -58.61 -52.61 64.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.998 1.436 . . . . 1.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.67 -31.05 46.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.994 1.434 . . . . 1.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -70.67 -48.4 55.02 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 30.3 t -67.46 -27.33 66.94 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.987 1.43 . . . . 1.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.11 -51.93 8.88 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 52.4 t-20 -53.55 -40.91 65.94 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -76.86 -54.93 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 56.4 m -81.72 -81.75 0.14 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.975 1.422 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 6.8 mt-10 -37.98 -27.83 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 1.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 61' ' ' LYS . 1.3 p30 34.84 88.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.972 1.42 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 71' ' ' PHE . . . -152.03 -164.43 12.27 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.4 Cg_endo -71.43 -169.35 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 1.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 65.16 -68.45 0.11 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.982 1.426 . . . . 1.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -77.14 -52.73 5.54 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.35 0 O-C-N 124.967 1.04 . . . . 1.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.74 177.01 0.24 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 27.51 5.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.974 1.421 . . . . 1.0 109.304 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.94 -47.08 84.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 1.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 51.06 -171.24 0.03 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 1.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.32 -73.3 0.04 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER 41.42 92.08 0.01 OUTLIER 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.968 1.418 . . . . 1.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 30.86 7.0 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 68.35 178.87 0.24 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.952 1.407 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 67.93 131.65 0.04 OUTLIER Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.623 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -53.89 108.15 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.55 2.834 . . . . 1.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.11 -31.41 71.87 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.974 1.422 . . . . 1.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.9 p90 -52.88 -27.01 16.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.032 1.458 . . . . 1.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 33.1 m -65.64 -39.56 91.55 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.89 -0.29 30.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.981 1.426 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -78.0 137.92 38.54 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.414 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.75 153.96 2.23 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 1.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.7 pt-20 -65.92 127.94 34.06 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 15.4 t0 -122.7 103.49 37.48 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -73.37 -36.07 4.36 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.824 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.68 -157.91 20.56 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -100.6 -43.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.077 1.104 . . . . 1.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.8 p -60.12 -128.72 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.42 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -170.86 32.08 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.005 1.441 . . . . 1.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -40.94 -49.8 4.23 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 11.3 m-30 64.05 122.26 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.005 1.062 . . . . 1.0 109.329 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -164.2 131.58 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 m -55.82 78.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.036 1.46 . . . . 1.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 25.4 mmt85 -110.24 155.86 21.46 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.019 1.449 . . . . 1.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 19.0 m-85 -112.78 154.5 26.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.964 1.415 . . . . 1.0 109.317 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -148.51 143.86 26.95 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.441 . . . . 1.0 109.274 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t80 -76.93 108.05 9.7 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.022 1.451 . . . . 1.0 109.324 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -97.49 131.0 44.52 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 1.0 109.241 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.52 -32.17 71.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.014 1.446 . . . . 1.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -29.17 9.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.96 1.413 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 23.4 p -129.52 17.1 5.91 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 31.7 40.44 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' CG ' ' OE2' ' A' ' 40' ' ' GLU . 1.9 pt20 -149.72 -164.65 2.07 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -101.18 120.4 40.17 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.0 1.437 . . . . 1.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' OE2' ' CG ' ' A' ' 38' ' ' GLN . 9.6 mm-40 -112.31 141.69 45.72 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.641 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -72.69 147.13 45.98 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.1 p90 -167.82 160.99 12.89 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.4 mppt? -75.44 -178.6 4.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.018 1.449 . . . . 1.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.3 t80 -156.53 100.77 1.97 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.951 1.407 . . . . 1.0 109.312 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -48.08 -43.79 25.33 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 103.64 -69.16 0.29 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.636 ' C ' ' O ' ' A' ' 46' ' ' GLY . 68.9 m -8.4 -98.26 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.995 1.056 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.5 -73.56 0.66 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.15 -141.66 39.85 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 54.1 p30 -137.56 -166.93 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.068 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -22.54 21.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -77.36 58.22 1.63 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.986 1.429 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.61 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.9 t30 -135.77 90.59 2.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 83.3 m-85 -97.22 164.33 12.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 29.3 mt-10 -97.19 -38.55 9.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.76 149.76 37.97 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 7.9 tp -61.37 -51.16 69.96 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.34 -49.45 64.28 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.95 1.406 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -45.86 69.77 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.9 t -64.85 -27.46 68.89 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.062 1.476 . . . . 1.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.57 -52.43 8.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.024 1.452 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -50.05 60.67 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.007 1.442 . . . . 1.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 63' ' ' ILE . 1.9 mm -66.18 -52.67 45.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.2 m -84.69 -86.08 0.13 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 3.1 mt-10 -32.7 -35.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.035 1.459 . . . . 1.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 94.67 -18.57 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.059 1.475 . . . . 1.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 85.01 95.6 0.72 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.21 1.08 9.3 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.458 2.772 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -76.11 -72.25 0.34 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.988 1.43 . . . . 1.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.04 -57.06 0.65 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.011 1.065 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -140.76 35.37 1.79 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 149.38 0.74 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 20.9 p-10 168.33 -40.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 1.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.2 p-10 162.67 120.77 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.974 1.421 . . . . 1.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 4.0 t0 -59.09 -164.96 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.059 1.474 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 0.9 OUTLIER 82.86 32.9 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.45 . . . . 1.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 50.25 0.94 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.989 1.431 . . . . 1.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.09 131.48 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 1.0 109.334 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.76 142.16 0.06 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.074 1.484 . . . . 1.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -71.41 103.11 1.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.523 2.815 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -60.75 -35.3 76.04 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 5.4 p90 -51.53 -30.55 20.87 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 63.6 m -63.85 -42.87 97.48 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.032 1.457 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -74.45 -5.78 44.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.966 1.416 . . . . 1.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.42 132.6 42.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.43 164.62 0.08 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.024 1.452 . . . . 1.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 6.9 pt-20 -81.51 120.66 25.31 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.983 1.427 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -114.54 99.86 52.15 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo -77.53 54.25 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.499 2.799 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . 19.95 -126.83 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.266 -1.534 . . . . 1.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -125.89 -69.48 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.964 1.037 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 58.2 m -26.71 90.39 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -31.04 -41.19 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.988 1.43 . . . . 1.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.606 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -14.63 83.11 0.0 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 24' ' ' ARG . 13.5 m-30 -71.02 126.5 29.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.99 1.053 . . . . 1.0 109.271 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -126.5 112.37 29.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.331 -179.5 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 m -49.56 84.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 1.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -112.82 179.67 3.9 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.688 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 11.2 m-85 -130.11 161.29 31.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 1.0 109.33 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.0 p90 -156.87 146.81 20.91 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.997 1.435 . . . . 1.0 109.271 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 29.8 t80 -80.57 101.76 9.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.955 1.41 . . . . 1.0 109.301 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 47.9 t-20 -91.99 126.58 37.13 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.034 1.459 . . . . 1.0 109.313 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -69.54 -23.81 63.64 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -53.09 -32.89 49.59 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' LYS . 60.0 p -127.54 19.99 6.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.009 1.443 . . . . 1.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.8 OUTLIER 33.44 53.9 0.45 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -164.26 0.78 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 99.0 m -105.27 120.01 40.49 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 11.3 mt-10 -108.08 149.4 28.51 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.006 1.441 . . . . 1.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.688 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -80.51 138.81 36.57 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.6 p90 -159.02 154.59 25.98 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.027 1.455 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -92.91 124.66 37.05 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 1.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -82.71 59.83 4.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.99 1.432 . . . . 1.0 109.273 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -61.52 64.75 0.01 OUTLIER Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -167.01 158.5 31.51 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 65.8 m -103.17 -13.85 16.61 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.034 1.079 . . . . 1.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -119.6 -54.63 2.16 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.5 -159.11 0.04 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -107.11 -155.5 0.55 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.99 1.053 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.614 ' HE2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 mmm -81.4 -67.91 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.042 1.464 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -42.01 92.92 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 44' ' ' TYR . 4.0 t-20 -171.07 70.18 0.05 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.987 1.43 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 59.0 m-85 -80.09 165.5 22.44 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.037 1.46 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 56' ' ' THR . 1.6 mt-10 -107.62 20.51 18.75 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -172.72 154.37 2.98 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.437 . . . . 1.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 13.5 tp -70.81 -53.76 14.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.408 . . . . 1.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.79 -36.52 64.99 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.998 1.436 . . . . 1.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 4.0 tt0 -67.09 -47.58 70.8 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.987 1.43 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.285 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 14.5 t -65.38 -27.38 68.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.981 1.425 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -79.36 -49.61 12.12 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.051 1.469 . . . . 1.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 15.4 t-20 -52.61 -45.67 66.68 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.003 1.44 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 59' ' ' GLU . 2.9 mp -74.26 -55.06 13.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.915 1.384 . . . . 1.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 37.6 m -79.11 -87.72 0.06 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 2.9 mt-10 -31.18 -36.17 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.6 p-10 47.96 96.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.946 1.404 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.95 -150.18 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.291 -1.523 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.8 170.46 20.31 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.532 2.822 . . . . 1.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -45.86 105.43 0.06 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.984 1.428 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.9 114.94 1.86 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.053 . . . . 1.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.544 ' CG ' ' CD2' ' A' ' 2' ' ' TYR . 5.7 t70 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 10.8 p90 -176.15 -42.12 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 74.23 -73.17 0.1 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.45 . . . . 1.0 109.33 -179.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 154.54 135.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 21.5 t0 92.84 -26.2 0.04 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.024 1.453 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.74 0.85 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.35 -69.34 0.75 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.057 1.473 . . . . 1.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 67.77 -63.66 0.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.023 1.452 . . . . 1.0 109.261 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.42 33.05 0.64 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.997 1.436 . . . . 1.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -106.84 144.67 29.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -71.67 108.07 2.33 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.477 2.785 . . . . 1.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.19 -28.97 70.11 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.409 . . . . 1.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.5 p90 -57.69 -26.53 61.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.009 1.443 . . . . 1.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 17.3 m -65.91 -36.88 84.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.65 10.22 21.4 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 1.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.71 130.39 34.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.016 1.447 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' GLU . 11.4 mt-10 -48.93 124.38 8.57 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pm0 -35.05 141.39 0.07 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.035 1.459 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 16.0 t0 -140.15 96.33 8.12 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 125.016 1.447 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -71.84 -26.34 19.11 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.506 2.804 . . . . 1.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.605 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 80.11 132.96 1.09 Allowed Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -13.32 -74.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.997 1.057 . . . . 1.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -26.1 140.9 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.018 1.449 . . . . 1.0 109.337 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.8 22.74 15.3 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 27' ' ' ILE . . . -69.04 62.5 0.52 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.558 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 17.8 m-30 -46.92 143.07 3.09 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.052 . . . . 1.0 109.285 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.1 mt -143.16 20.34 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.992 1.433 . . . . 1.0 109.271 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 28' ' ' THR . 2.1 m 41.73 55.22 3.67 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.1 mmt180 -85.05 -176.84 6.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.984 1.427 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 7.0 m-85 -128.97 155.33 45.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.316 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.2 p90 -151.49 148.43 28.04 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.042 1.464 . . . . 1.0 109.269 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 25.0 t80 -82.58 115.62 21.63 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.347 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.86 122.08 41.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.448 . . . . 1.0 109.354 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.09 -33.63 76.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.031 1.457 . . . . 1.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -18.99 61.04 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -126.49 8.4 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 35.06 44.38 0.13 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.964 1.415 . . . . 1.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -158.98 -161.23 0.93 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.005 1.441 . . . . 1.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' O ' HD11 ' A' ' 57' ' ' LEU . 57.7 m -111.63 125.4 53.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.003 1.439 . . . . 1.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 144.27 40.53 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.767 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -75.05 118.76 18.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.4 p90 -136.38 144.34 44.51 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.074 1.484 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.26 127.0 31.84 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 1.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -90.65 118.86 30.42 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.443 . . . . 1.0 109.32 -179.803 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 23' ' ' CYS . . . -48.96 -70.37 0.8 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 148.0 -122.32 1.51 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLY . 1.7 p -17.49 -98.53 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.057 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -64.6 172.02 2.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.61 -147.92 18.89 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 53.4 p30 -135.63 -171.09 2.76 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.072 . . . . 1.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 mtm -87.77 -26.86 22.66 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.447 . . . . 1.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -72.88 61.11 0.54 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 44' ' ' TYR . 2.6 t30 -138.27 91.58 2.57 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 85.5 m-85 -97.2 167.32 11.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 37.0 mt-10 -98.9 -40.17 8.22 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.991 1.432 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -117.53 147.04 43.14 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.988 1.43 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 39' ' ' CYS . 7.1 tp -57.33 -51.47 69.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.87 -39.11 65.41 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.972 1.42 . . . . 1.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.7 -46.81 88.11 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.005 1.441 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 54' ' ' PHE . 35.6 t -63.32 -27.4 69.3 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' ASP . 5.0 mttm -79.27 -49.8 11.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.999 1.437 . . . . 1.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 18.5 t30 -52.13 -43.94 64.26 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.029 1.456 . . . . 1.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 1.6 mp -75.97 -54.56 13.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.981 1.425 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 61.0 m -78.77 -85.97 0.07 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.03 1.456 . . . . 1.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.5 mt-10 -32.26 -36.01 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.2 p30 51.72 26.2 3.32 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.985 1.428 . . . . 1.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.34 92.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.9 130.07 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.51 2.806 . . . . 1.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 55.76 29.1 13.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -137.49 -51.25 0.06 OUTLIER Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.241 -1.543 . . . . 1.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.414 0 O-C-N 125.003 1.06 . . . . 1.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 118.471 -0.776 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.52 -49.41 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.945 1.403 . . . . 1.0 109.283 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -169.51 178.29 4.26 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.418 . . . . 1.0 109.277 -179.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.9 t70 84.54 130.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -129.92 27.07 5.2 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 44.11 -164.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 60.78 78.77 0.27 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.99 1.431 . . . . 1.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.34 44.47 0.29 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.061 1.476 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER 50.01 -177.17 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.944 1.403 . . . . 1.0 109.343 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 66.81 145.0 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.947 1.404 . . . . 1.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -70.3 102.83 1.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.524 2.816 . . . . 1.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 16.4 t70 -60.8 -32.41 71.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.917 1.386 . . . . 1.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.616 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -53.28 -29.64 34.34 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.945 1.403 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 55.4 m -64.15 -40.88 97.09 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.954 1.409 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.8 m-85 -77.95 -2.96 39.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.009 1.443 . . . . 1.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.49 139.1 39.56 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.996 1.435 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' LEU . 1.3 pm0 -50.05 179.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -92.25 146.33 23.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.993 1.433 . . . . 1.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -134.43 104.46 11.16 Favored Pre-proline 0 C--O 1.24 0.599 0 O-C-N 124.987 1.429 . . . . 1.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -80.41 6.11 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.534 2.823 . . . . 1.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.89 -157.39 52.45 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.314 -1.515 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -106.07 -35.45 3.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.072 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 m -58.95 -154.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.982 1.426 . . . . 1.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.15 -176.39 5.62 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 1.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 125.33 -33.36 3.66 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 11.9 m-30 61.95 117.75 0.02 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.955 1.033 . . . . 1.0 109.293 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.6 mp -116.52 19.29 7.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 28' ' ' THR . 15.7 m 40.06 60.01 1.83 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.444 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -92.1 177.33 6.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.974 1.421 . . . . 1.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.741 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.1 m-85 -125.22 156.3 38.72 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.033 1.458 . . . . 1.0 109.308 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -154.72 136.42 14.39 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.994 1.434 . . . . 1.0 109.312 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 29.7 t80 -73.32 107.19 5.48 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 39.8 t-20 -91.07 116.91 29.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.464 . . . . 1.0 109.336 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -61.61 -31.08 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.038 1.461 . . . . 1.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.47 -30.03 27.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 37' ' ' LYS . 31.8 p -127.53 17.98 6.92 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.973 1.42 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.5 OUTLIER 31.42 45.35 0.04 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -160.05 158.76 31.03 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.988 1.43 . . . . 1.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.4 m -68.13 129.98 41.56 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.436 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 10.2 mt-10 -117.93 134.15 55.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.946 1.404 . . . . 1.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.741 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.59 118.16 15.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.013 1.446 . . . . 1.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -137.04 150.85 48.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.997 1.436 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.41 126.25 33.64 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 -93.63 52.54 1.72 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.05 67.7 0.02 OUTLIER Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -158.6 169.36 35.01 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.966 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 5.0 m -119.71 23.81 10.93 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.046 . . . . 1.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -166.0 -45.91 0.03 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 37.39 -137.63 0.62 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -130.68 -157.12 0.8 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.05 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 17.6 mtm -70.55 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.7 t-20 -33.27 95.53 0.01 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.013 1.446 . . . . 1.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.555 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 3.9 t-20 -169.2 68.2 0.06 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 56.9 m-85 -79.81 176.5 9.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.431 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -106.38 -28.49 10.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.051 1.469 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -127.41 154.72 44.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 3.7 tp -66.82 -50.65 61.92 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.44 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.48 -40.48 68.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.957 1.41 . . . . 1.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 1.1 tt0 -65.98 -44.72 84.07 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.929 1.393 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 t -64.69 -33.33 75.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.977 1.423 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.0 mttm -80.04 -34.19 38.5 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 1.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -47.18 87.43 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.73 -41.8 40.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.032 1.458 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 m -89.01 -88.29 0.16 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.612 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -32.18 -35.73 0.02 OUTLIER 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 97.53 168.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.93 36.72 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -78.49 1.23 9.22 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.455 2.77 . . . . 1.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -48.4 -31.05 5.64 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.966 1.416 . . . . 1.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.84 49.99 0.04 OUTLIER Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.941 1.024 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -56.7 125.06 20.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.294 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 5.4 ptmm? 51.12 179.62 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.042 1.464 . . . . 1.0 109.305 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.39 170.45 15.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.44 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' O ' ' NZ ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 74.89 157.39 0.19 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.954 1.409 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -104.13 -28.05 11.7 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.975 1.422 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 178.53 -82.83 0.0 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.034 1.459 . . . . 1.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -41.97 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.007 1.442 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.2 28.89 7.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.417 . . . . 1.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER 69.27 145.73 0.11 Allowed Pre-proline 0 C--O 1.239 0.518 0 O-C-N 124.977 1.423 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.8 108.44 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.506 2.804 . . . . 1.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.97 -29.29 70.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 1.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.0 p90 -58.07 -26.77 62.94 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.985 1.428 . . . . 1.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 m -66.26 -36.2 82.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.995 1.435 . . . . 1.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -86.88 7.74 25.97 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.964 1.415 . . . . 1.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 134.43 35.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.412 . . . . 1.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.58 144.37 10.71 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.009 1.443 . . . . 1.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -63.69 143.29 57.96 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 4.7 t0 -146.53 100.27 4.09 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.676 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -73.06 -2.13 11.56 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.556 2.837 . . . . 1.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.46 -147.69 18.42 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.314 -1.514 . . . . 1.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.87 -47.31 7.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.975 1.044 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.76 -148.0 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -130.78 -155.93 0.73 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.999 1.437 . . . . 1.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' CA ' ' HA2' ' A' ' 45' ' ' GLY . . . 110.62 59.87 0.49 Allowed Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 5.9 m-30 -67.12 135.73 54.02 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.019 1.07 . . . . 1.0 109.294 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 27' ' ' ILE . 6.1 mt -132.6 16.32 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.984 1.428 . . . . 1.0 109.286 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' THR . 4.4 m 53.96 53.04 11.79 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.36 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.707 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 35.2 mmt180 -82.31 178.97 7.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 6.1 m-85 -128.17 155.55 44.3 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.311 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.3 p90 -154.12 137.35 15.68 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 21.3 t80 -73.48 113.49 10.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.981 1.426 . . . . 1.0 109.36 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -98.24 114.65 26.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.012 1.445 . . . . 1.0 109.358 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -59.94 -33.51 72.0 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.975 1.422 . . . . 1.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -34.28 35.71 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.936 1.398 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' LYS . 72.4 p -119.82 17.27 12.67 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER 32.3 48.67 0.12 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.1 mt-30 -166.85 165.05 16.37 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.451 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 30.1 m -73.98 131.65 41.62 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.404 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 49.9 mm-40 -117.79 136.62 53.28 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.441 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.675 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -71.66 119.59 16.04 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.444 . . . . 1.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.3 p90 -139.48 176.5 8.67 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.966 1.416 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -102.63 153.44 20.11 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.953 1.408 . . . . 1.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' O ' ' CB ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -101.14 -80.46 0.49 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.035 1.459 . . . . 1.0 109.33 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.541 ' HA2' ' CA ' ' A' ' 25' ' ' GLY . . . 116.5 -61.58 0.4 Allowed Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 135.59 -89.47 0.23 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 48' ' ' LEU . 67.5 m -19.71 124.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.062 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.634 ' C ' ' O ' ' A' ' 47' ' ' CYS . 1.1 tt -9.49 111.55 0.01 OUTLIER 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -132.41 79.02 0.35 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 49' ' ' GLY . 6.1 p-10 35.38 -158.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.049 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ASN . 4.7 mpp? -102.58 -74.31 0.63 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 51' ' ' MET . 17.8 t-20 -30.43 94.25 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' MET . 7.9 t30 -168.04 78.46 0.16 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.707 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 63.1 m-85 -88.8 -171.2 3.21 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.454 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 30.5 mt-10 -115.07 -36.28 4.46 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -121.41 150.05 42.1 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 2.8 tp -62.64 -45.88 90.78 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.969 1.418 . . . . 1.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.68 -37.92 80.1 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.017 1.448 . . . . 1.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 14.1 tt0 -68.34 -44.37 75.43 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 54' ' ' PHE . 15.5 t -65.47 -31.39 72.44 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' ASP . 43.5 mttm -80.34 -39.34 28.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.62 -46.0 87.98 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.032 1.458 . . . . 1.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 mp -77.09 -38.68 28.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 59.0 m -90.9 -86.84 0.21 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.048 1.467 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -34.29 -33.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.442 . . . . 1.0 109.285 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER 63.05 169.66 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.009 1.443 . . . . 1.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.09 159.5 31.58 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.238 -1.545 . . . . 1.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLY . 18.3 Cg_endo -74.65 151.89 41.94 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.511 2.807 . . . . 1.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 t30 58.5 -81.0 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.987 1.429 . . . . 1.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . -48.91 -79.02 0.08 OUTLIER Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.354 0 O-C-N 124.998 1.058 . . . . 1.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.359 -0.829 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 3' ' ' LYS . 11.2 t80 -173.77 -82.93 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 1.0 109.283 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.24 -177.64 6.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.979 1.425 . . . . 1.0 109.289 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 60.87 -77.91 0.02 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' LYS . 3.1 t0 61.67 -162.47 0.28 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.931 1.394 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' LYS . 7.2 m-20 -178.82 69.84 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.01 1.444 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.15 -80.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 75.31 -82.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.947 1.404 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.6 mt -135.36 39.74 2.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 146.6 1.0 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.027 1.454 . . . . 1.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -66.91 104.6 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.54 2.827 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.1 p30 -62.35 -31.85 72.55 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.012 1.445 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 4.2 p90 -54.11 -26.56 27.98 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.02 1.45 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.2 m -63.96 -38.99 93.09 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.99 1.431 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.0 m-85 -81.96 2.37 31.03 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -75.84 136.87 40.19 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.035 1.459 . . . . 1.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.21 140.42 26.38 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.1 pt-20 -47.04 135.29 9.75 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.04 108.45 19.95 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.589 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -80.21 -20.47 8.51 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.503 2.802 . . . . 1.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 92.87 -153.52 21.56 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.284 -1.527 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -98.89 -80.78 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.057 . . . . 1.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -29.84 110.91 0.06 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 61.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -99.25 79.06 0.52 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.1 m-30 -62.32 106.49 0.75 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.993 1.055 . . . . 1.0 109.339 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -125.65 126.87 70.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -52.78 87.6 0.0 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.7 mmt85 -113.73 159.66 19.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.698 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.5 m-85 -115.25 155.37 27.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.04 1.462 . . . . 1.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.7 p90 -153.72 139.25 17.77 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.951 1.407 . . . . 1.0 109.289 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 20.3 t80 -75.02 114.34 13.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.962 1.414 . . . . 1.0 109.32 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -101.61 116.08 31.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.942 1.401 . . . . 1.0 109.317 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.09 -32.05 71.72 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -29.56 22.98 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' LYS . 46.2 p -125.96 16.18 7.95 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.02 1.45 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' THR . 4.0 mppt? 32.76 49.26 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.938 1.399 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -168.27 160.89 11.85 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 1.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 22.1 m -71.25 128.52 36.16 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.03 1.456 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.22 139.2 51.08 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 1.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.698 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -73.68 114.61 12.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 1.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.6 p90 -129.78 156.59 44.07 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -63.76 -164.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.2 t80 -157.68 50.8 0.44 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.056 1.473 . . . . 1.0 109.301 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -58.29 72.23 0.01 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -177.52 170.72 43.28 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.319 -1.513 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 55.9 m -108.29 -11.7 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.078 . . . . 1.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.85 -70.11 0.4 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.042 1.464 . . . . 1.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.5 -104.0 1.91 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -168.39 -178.08 3.43 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.071 . . . . 1.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -57.32 -39.29 75.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.009 1.443 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 25.0 t-20 -70.42 61.09 0.22 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.072 1.483 . . . . 1.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 29.3 t30 -164.54 57.03 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.065 1.478 . . . . 1.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 46.4 m-85 -64.21 179.72 0.53 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.05 1.469 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.72 6.43 9.42 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.507 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -153.55 157.04 39.16 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.033 1.458 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.8 -51.12 14.91 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.981 1.425 . . . . 1.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.37 -33.93 71.79 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 1.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.33 -48.52 49.85 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.005 1.441 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 5.1 t -63.36 -30.45 71.58 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 22.5 mttm -78.65 -46.65 18.68 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.0 1.438 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -47.36 65.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 2.3 mp -74.12 -51.9 22.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 57.9 m -78.72 -84.45 0.08 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.011 1.445 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -34.84 -34.25 0.03 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.943 1.402 . . . . 1.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.605 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER 96.77 163.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.402 . . . . 1.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.51 166.89 23.72 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.15 158.46 45.36 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.468 2.779 . . . . 1.0 111.02 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 49.73 48.89 21.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.029 1.456 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.94 -130.67 8.53 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.346 0.418 0 O-C-N 124.974 1.043 . . . . 1.0 109.287 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.525 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 173.74 -95.11 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.021 1.451 . . . . 1.0 109.346 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 107.06 12.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.97 1.419 . . . . 1.0 109.35 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -121.34 -54.92 1.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.059 1.475 . . . . 1.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.7 m-20 79.86 134.94 0.06 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.942 1.401 . . . . 1.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -45.21 158.29 0.07 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 2.4 t70 84.55 27.29 0.08 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.43 -81.45 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.81 29.09 8.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.942 1.401 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.58 151.8 0.12 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.07 105.31 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.507 2.805 . . . . 1.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 9.8 t0 -62.99 -29.6 70.95 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.7 p90 -56.21 -26.43 50.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.998 1.437 . . . . 1.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 31.4 m -64.69 -38.52 91.26 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.442 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 5.1 m-85 -86.07 7.93 22.76 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -81.66 158.67 24.19 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.011 1.444 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -67.25 143.19 56.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.005 1.441 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.3 pt-20 -53.19 145.4 13.73 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.972 1.42 . . . . 1.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -138.34 107.83 7.96 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -80.34 -10.68 13.46 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.485 2.79 . . . . 1.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.29 -167.15 39.07 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.4 -75.05 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.987 1.051 . . . . 1.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -41.07 93.67 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.397 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -39.62 163.35 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 27' ' ' ILE . . . 143.79 71.79 0.02 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.63 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.4 m-30 -60.55 125.53 24.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.057 . . . . 1.0 109.32 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -126.31 23.61 3.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.261 -179.434 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.5 m 44.21 79.53 0.05 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.005 1.441 . . . . 1.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.648 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.6 mmt85 -108.79 165.84 11.26 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.7 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 m-85 -116.03 160.52 20.18 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.027 1.454 . . . . 1.0 109.281 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 10.4 p90 -154.56 145.72 22.81 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.315 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 23.4 t80 -79.84 113.64 18.16 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLN . 21.9 t30 -97.19 121.57 39.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.027 1.454 . . . . 1.0 109.268 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -64.2 -35.26 80.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.983 1.427 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -19.51 37.05 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.99 1.431 . . . . 1.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 m -128.92 9.29 5.79 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.441 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.29 43.32 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.013 1.446 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.567 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -156.21 -165.61 1.96 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 54.7 m -107.83 124.28 49.83 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.457 . . . . 1.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.92 144.14 43.01 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.7 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 3.1 mtp180 -75.58 114.47 14.19 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.1 p90 -127.65 149.73 50.06 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.999 1.437 . . . . 1.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.4 mppt? -66.99 158.05 31.87 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 29' ' ' ARG . 2.3 t80 -128.52 62.03 1.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.022 1.451 . . . . 1.0 109.322 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.461 ' HA2' ' N ' ' A' ' 25' ' ' GLY . . . -69.13 60.09 0.56 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -157.77 178.77 33.92 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -133.07 18.32 4.1 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.026 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 12.4 tp -159.27 -71.42 0.08 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.018 1.449 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.24 175.69 0.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.428 ' ND2' HD22 ' A' ' 16' ' ' LEU . 27.4 p30 -81.83 -178.09 6.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.019 1.07 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -49.35 -52.57 27.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.02 1.45 . . . . 1.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 31' ' ' PHE . 18.0 t-20 -52.81 91.39 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.028 1.455 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 171.79 94.42 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.951 1.407 . . . . 1.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.648 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 65.3 m-85 -107.62 165.81 11.14 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.026 1.453 . . . . 1.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 24.1 mt-10 -99.75 -33.34 10.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.959 1.412 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.66 149.52 41.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.055 1.472 . . . . 1.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.29 -51.84 66.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.958 1.411 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.89 -48.08 67.43 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.042 1.464 . . . . 1.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 3.2 tt0 -53.68 -49.95 66.9 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.011 1.444 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 6.8 t -58.56 -29.31 66.27 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.968 1.418 . . . . 1.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 5.0 mttm -78.33 -49.53 13.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.8 t-20 -51.8 -48.42 63.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 mp -71.94 -52.74 23.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.008 1.443 . . . . 1.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 42.2 m -79.86 -89.2 0.06 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -28.87 -41.07 0.02 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER 71.7 -51.51 0.69 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.423 . . . . 1.0 109.247 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -125.92 74.92 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.241 -1.544 . . . . 1.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.59 55.01 5.0 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.498 2.799 . . . . 1.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 68.87 26.54 5.86 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.82 120.94 1.19 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.37 0 O-C-N 125.058 1.093 . . . . 1.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -92.81 -66.17 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 -65.05 0.37 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.81 -61.45 1.18 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.999 1.437 . . . . 1.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.3 159.37 15.18 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.974 1.421 . . . . 1.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 2.1 p30 -61.41 -49.8 75.4 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.993 1.433 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' ASP . 1.5 p30 154.99 64.03 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt 54.74 104.62 0.01 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.22 111.47 0.78 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.039 1.462 . . . . 1.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CG ' ' OD2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -41.85 132.66 2.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.652 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -52.32 110.17 0.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.49 2.793 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.64 -27.47 69.24 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 1.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 1.6 p90 -56.57 -27.3 57.52 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.028 1.455 . . . . 1.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 16.7 m -66.4 -37.52 85.42 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.99 4.32 30.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.964 1.415 . . . . 1.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 137.35 34.99 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.966 1.417 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 1.7 mt-10 -50.93 153.77 1.69 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.995 1.434 . . . . 1.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.63 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.8 pt-20 -72.62 144.8 47.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.966 1.416 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 14.3 t0 -145.25 105.49 4.4 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.947 1.405 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.5 Cg_endo -78.85 2.83 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.531 2.821 . . . . 1.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 59.4 120.19 0.01 OUTLIER Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.636 ' C ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -9.25 -69.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.955 1.033 . . . . 1.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 1.3 m -33.11 152.31 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 1.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -96.16 -71.16 0.69 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.032 1.457 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.59 63.26 0.01 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 18.2 m-30 -62.45 148.26 46.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.982 1.048 . . . . 1.0 109.298 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' GLY . 7.2 mt -142.71 19.99 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.041 1.463 . . . . 1.0 109.28 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m 42.24 74.67 0.1 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 1.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 36.2 mmt180 -99.39 -177.21 3.52 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.5 m-85 -130.48 154.84 47.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.005 1.44 . . . . 1.0 109.317 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 6.9 p90 -151.73 148.96 28.52 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.953 1.408 . . . . 1.0 109.297 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 32.8 t80 -80.75 98.46 7.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.328 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.4 120.01 26.39 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.962 1.414 . . . . 1.0 109.322 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.08 -25.44 66.23 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.42 -40.37 36.17 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.984 1.428 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -112.54 -6.77 13.93 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.997 1.436 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? 62.97 50.05 3.29 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -178.48 2.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.013 1.446 . . . . 1.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.1 m -80.39 138.89 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.954 1.409 . . . . 1.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -134.78 138.93 44.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.781 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -70.64 118.16 13.08 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 1.0 109.298 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 4.2 p90 -131.04 154.72 47.92 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.444 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.9 mppt? -69.48 164.4 23.2 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.051 1.47 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 6.3 t80 -145.64 131.54 19.15 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.945 1.403 . . . . 1.0 109.33 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -105.77 -24.25 7.08 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.577 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 86.99 -83.03 1.6 Allowed Glycine 0 C--N 1.345 1.062 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 4.5 m -29.26 120.12 0.14 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.945 1.026 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp 65.65 -88.09 0.03 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.427 . . . . 1.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.73 -156.04 2.06 Favored Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 40.0 p-10 -130.53 -157.15 0.8 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.067 1.098 . . . . 1.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 53' ' ' ASN . 8.8 mmm -92.87 -53.32 4.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.57 81.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.559 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -149.54 101.57 3.1 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.007 1.442 . . . . 1.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.728 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 94.2 m-85 -111.26 165.56 11.83 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.972 1.42 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 33.7 mt-10 -98.24 -43.76 6.85 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.011 1.445 . . . . 1.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.25 146.26 40.66 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.3 tp -57.44 -52.43 65.39 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.44 -39.22 60.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.939 1.399 . . . . 1.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 1.1 tp10 -62.54 -45.1 94.52 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.957 1.411 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 7.4 t -66.78 -26.67 67.07 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -79.69 -52.3 8.14 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.982 1.426 . . . . 1.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -53.18 -39.77 63.87 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.998 1.436 . . . . 1.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -79.06 -53.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.063 1.477 . . . . 1.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 22.7 m -80.74 -80.26 0.14 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.425 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -44.45 -25.66 0.28 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER 29.21 -94.71 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.996 1.435 . . . . 1.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 132.06 168.93 12.19 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.6 84.34 1.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.46 2.774 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 54.3 79.58 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.059 1.474 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.95 -116.8 0.41 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 66' ' ' ASP . 16.3 p90 . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.967 1.039 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -166.88 41.28 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.041 1.463 . . . . 1.0 109.357 -179.825 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 90.25 111.69 0.03 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.004 1.44 . . . . 1.0 109.297 -179.441 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -155.27 -158.69 0.85 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.035 1.459 . . . . 1.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -142.89 137.96 29.88 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.003 1.439 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -157.8 58.0 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.411 . . . . 1.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.8 m-20 -139.42 -79.37 0.32 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.962 1.414 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 86.9 -50.91 0.05 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.043 1.464 . . . . 1.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.88 -149.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.962 1.413 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -118.67 152.75 51.75 Favored Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.998 1.436 . . . . 1.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.596 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.54 102.27 1.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.474 2.783 . . . . 1.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 22.4 t70 -61.21 -29.99 70.16 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.046 1.466 . . . . 1.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.4 p90 -55.6 -28.16 53.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.444 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 54.4 m -64.45 -38.2 90.18 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.012 1.445 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 3.3 m-85 -85.92 11.99 10.23 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.971 1.419 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.24 127.6 35.46 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.9 mp0 -42.03 151.11 0.1 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -69.12 148.45 49.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 41.0 t0 -140.93 107.46 6.32 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -82.14 17.45 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 1.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.41 -159.09 41.98 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' CYS . 1.2 mt -103.19 -34.78 3.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.991 1.054 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.3 m -59.08 -153.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.987 1.429 . . . . 1.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -176.32 4.55 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 126.93 -30.31 4.18 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 12.9 m-30 59.92 112.41 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.056 . . . . 1.0 109.303 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.5 mp -114.7 17.1 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.269 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 17.0 m 43.86 62.77 1.82 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 2.1 mmt-85 -90.67 -179.93 5.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.418 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.745 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 8.9 m-85 -129.0 150.47 50.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 1.0 109.296 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.2 p90 -151.21 138.85 19.66 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 1.0 109.294 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.524 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 31.1 t80 -74.75 111.98 10.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.469 . . . . 1.0 109.326 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 19.0 t-20 -96.61 117.57 31.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 1.0 109.297 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.04 -31.75 73.13 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -49.97 -35.92 26.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.973 1.421 . . . . 1.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -117.84 -0.67 11.68 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.012 1.445 . . . . 1.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 49.45 52.56 14.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.461 . . . . 1.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.73 153.03 3.23 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.023 1.452 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 97.0 m -58.18 128.47 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 43.6 mm-40 -118.61 129.22 55.2 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.745 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -68.55 116.39 9.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.949 1.406 . . . . 1.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 2.1 p90 -134.1 142.57 47.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.455 . . . . 1.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -76.06 126.32 30.78 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.3 t80 -92.65 52.16 1.84 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.008 1.442 . . . . 1.0 109.303 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -62.59 64.94 0.02 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.281 -1.528 . . . . 1.0 109.281 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -161.9 176.13 38.37 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.45 -5.16 12.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.995 1.056 . . . . 1.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' N ' ' OH ' ' A' ' 44' ' ' TYR . 2.4 tp -174.9 75.69 0.03 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' O ' ' A' ' 50' ' ' ASN . . . -101.91 103.31 2.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' O ' ' O ' ' A' ' 49' ' ' GLY . 29.5 p-10 27.26 -148.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.043 1.084 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASN . 6.9 mmm -103.65 -135.73 0.34 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.022 1.452 . . . . 1.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' MET . 23.6 t-20 30.39 60.17 0.21 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.975 1.422 . . . . 1.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 10.8 t30 -137.42 62.3 1.59 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 82.2 m-85 -69.56 -175.9 0.92 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.5 mt-10 -116.49 -32.87 5.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.96 149.46 49.84 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 4.0 tp -60.43 -43.64 96.59 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.005 1.441 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.97 -39.1 80.7 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.056 1.472 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -45.55 70.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.982 1.426 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 5.2 t -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 66' ' ' ASP . 42.4 mttt -81.49 -48.7 11.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -52.88 -40.16 63.24 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.014 1.446 . . . . 1.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 5.1 mm -76.9 -53.76 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.941 1.4 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 4.4 m -83.84 -82.11 0.16 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.046 1.466 . . . . 1.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 4.2 mt-10 -36.3 -30.89 0.02 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 p30 47.3 42.32 13.56 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.025 1.453 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -40.27 160.15 0.02 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -76.78 54.79 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.472 2.781 . . . . 1.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -99.13 49.59 0.95 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 1.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.9 -26.9 22.75 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.968 1.04 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 118.417 -0.801 . . . . 1.0 109.323 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -114.12 54.43 0.76 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.011 1.445 . . . . 1.0 109.26 -179.74 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -175.43 -44.22 0.01 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.34 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.4 159.47 2.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.055 1.472 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -124.35 27.06 7.15 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.006 1.442 . . . . 1.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.98 -158.37 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t0 61.3 -83.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt 174.98 85.34 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 1.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 34.41 1.37 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.965 1.416 . . . . 1.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' CE ' ' O ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -67.17 138.4 94.61 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.978 1.424 . . . . 1.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -67.31 107.51 1.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.478 2.785 . . . . 1.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 7.7 p-10 -63.18 -30.97 72.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.2 p90 -56.33 -27.83 57.01 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.946 1.404 . . . . 1.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 12.1 m -64.44 -38.94 92.77 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.052 1.47 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 4.5 m-85 -82.62 -1.07 49.91 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.035 1.459 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -82.31 126.61 32.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.015 1.447 . . . . 1.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.84 145.6 0.45 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.015 1.447 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 3.4 pt-20 -38.35 133.53 0.97 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 1.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD2' ' ND2' ' A' ' 50' ' ' ASN . 20.0 t0 -128.87 94.27 34.91 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.031 1.457 . . . . 1.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 18.3 Cg_endo -79.26 -43.21 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.549 2.833 . . . . 1.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . 137.73 -129.33 4.61 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.236 -1.545 . . . . 1.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 48' ' ' LEU . 1.9 mt -135.59 28.49 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.958 1.034 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 2.9 m -139.52 -147.26 0.22 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.013 1.446 . . . . 1.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' CG ' ' CZ ' ' A' ' 26' ' ' TYR . 1.9 ttp-105 -124.7 -74.18 0.62 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.427 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 24.54 76.58 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CD1' ' CB ' ' A' ' 43' ' ' LYS . 20.0 m-30 -86.3 126.96 34.69 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.029 1.076 . . . . 1.0 109.309 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mt -124.71 24.95 3.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.037 1.461 . . . . 1.0 109.26 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 28' ' ' THR . 19.7 m 47.43 59.38 4.14 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 125.018 1.449 . . . . 1.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 26.7 mmt85 -88.7 179.2 6.29 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.97 1.419 . . . . 1.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.776 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 10.1 m-85 -127.51 157.62 39.61 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.028 1.455 . . . . 1.0 109.347 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.1 p90 -153.25 140.29 19.3 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.471 . . . . 1.0 109.296 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.6 t80 -75.45 108.06 7.99 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.065 1.478 . . . . 1.0 109.329 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.81 116.39 28.66 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.006 1.442 . . . . 1.0 109.347 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.12 -35.19 73.03 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.986 1.429 . . . . 1.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.45 -48.92 18.85 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.006 1.441 . . . . 1.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 37' ' ' LYS . 70.1 p -108.79 24.16 13.49 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.01 1.444 . . . . 1.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 36' ' ' THR . 29.6 mtmm 26.71 54.6 0.05 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.968 1.417 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 171.96 7.67 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.008 1.443 . . . . 1.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 65.2 m -81.47 123.69 28.81 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.96 1.413 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 20.8 mm-40 -110.24 140.91 43.89 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.776 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.06 119.3 17.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.013 1.446 . . . . 1.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -139.41 -179.68 6.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.44 . . . . 1.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.68 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -92.56 -172.1 2.96 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.985 1.428 . . . . 1.0 109.368 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -137.91 -68.98 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.012 1.445 . . . . 1.0 109.348 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 95.78 -47.89 1.85 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.564 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 75.49 80.0 0.58 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.276 -1.53 . . . . 1.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -170.0 93.51 0.24 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.998 1.058 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' O ' ' C ' ' A' ' 49' ' ' GLY . 3.5 tp 75.81 -37.05 0.31 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -21.05 129.86 0.01 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 17.1 p30 -75.94 -167.93 0.81 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 13.9 mtm -49.95 -66.5 0.38 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.6 t-20 -28.23 97.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.996 1.435 . . . . 1.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 44' ' ' TYR . 1.3 t-20 166.3 94.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.419 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 73.4 m-85 -107.51 167.1 10.18 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -113.86 16.55 18.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.422 . . . . 1.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -164.88 147.82 8.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.04 -40.1 82.94 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.991 1.432 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.44 -34.36 77.04 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.038 1.461 . . . . 1.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' OE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.91 -50.58 48.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.438 . . . . 1.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -61.03 -31.25 70.88 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 1.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.643 ' O ' ' N ' ' A' ' 66' ' ' ASP . 27.7 mttt -79.32 -41.32 28.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 5.6 t30 -59.05 -43.1 91.64 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.989 1.431 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 54' ' ' PHE . 4.6 mm -77.88 -45.83 27.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.955 1.409 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 56.1 m -87.5 -88.89 0.13 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.6 mt-10 -32.92 -33.75 0.01 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER 56.41 20.75 4.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.97 154.73 0.05 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.43 -77.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.48 2.787 . . . . 1.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -82.89 104.65 13.27 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.004 1.44 . . . . 1.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.1 159.15 10.43 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.387 0 O-C-N 125.014 1.067 . . . . 1.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -45.53 135.34 6.49 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.028 1.455 . . . . 1.0 109.313 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 66.51 102.53 0.04 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.019 1.449 . . . . 1.0 109.272 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.29 -82.9 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.061 1.476 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 165.62 -46.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ASP . 2.1 t0 83.62 -158.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.044 1.465 . . . . 1.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -45.07 168.0 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.002 1.439 . . . . 1.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.1 -44.67 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.19 163.85 12.27 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 14.5 tttt 62.6 130.75 0.03 OUTLIER Pre-proline 0 C--O 1.239 0.538 0 O-C-N 124.98 1.425 . . . . 1.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.682 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -56.74 125.65 19.7 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.489 2.792 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.44 -29.54 70.59 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 1.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' ' 11' ' ' PRO . 1.1 p90 -56.51 -28.03 58.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.961 1.413 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.1 m -65.58 -37.48 86.77 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.038 1.461 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE1' ' HE2' ' A' ' 10' ' ' LYS . 12.4 m-85 -91.7 20.98 5.05 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.013 1.445 . . . . 1.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.64 140.01 31.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 153.45 4.71 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 1.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.632 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -72.48 151.38 42.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -151.65 113.11 2.97 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 124.998 1.436 . . . . 1.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLY . 18.3 Cg_endo -82.35 40.56 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' HA3' ' HA3' ' A' ' 46' ' ' GLY . . . 34.31 -148.78 0.02 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.517 . . . . 1.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -108.03 -73.04 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.037 1.081 . . . . 1.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 23' ' ' CYS . 20.0 p -37.49 96.45 0.01 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -47.11 174.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . 161.86 -33.01 0.35 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 12.5 m-30 48.26 86.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.993 1.055 . . . . 1.0 109.306 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -117.67 114.18 44.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.955 1.409 . . . . 1.0 109.298 -179.47 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -41.91 91.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.69 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 16.6 mmt180 -120.49 157.78 28.66 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.002 1.439 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 13.6 m-85 -115.56 151.71 34.39 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.048 1.467 . . . . 1.0 109.318 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.632 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 8.2 p90 -147.87 135.12 20.51 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.994 1.433 . . . . 1.0 109.26 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE1' ' HA ' ' A' ' 38' ' ' GLN . 21.9 t80 -72.24 107.81 5.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.435 . . . . 1.0 109.293 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 40' ' ' GLU . 30.6 t-20 -94.17 122.45 36.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.04 1.462 . . . . 1.0 109.32 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.76 -29.73 70.91 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.052 1.47 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.91 -32.76 9.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 44.9 p -128.61 16.86 6.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 1.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 34.71 50.07 0.41 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.023 1.452 . . . . 1.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -160.23 -177.82 6.53 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 66.4 m -90.21 123.88 34.39 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.043 1.465 . . . . 1.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 4.0 mt-10 -117.54 135.48 53.91 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.059 1.474 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.614 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -69.15 142.64 54.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 1.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -162.03 158.97 25.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.955 1.41 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -72.95 -172.33 1.02 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 1.4 t80 -162.77 48.41 0.16 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.01 1.444 . . . . 1.0 109.282 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -64.88 61.32 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -164.66 174.92 40.7 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -124.86 -44.79 1.92 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.994 1.055 . . . . 1.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -100.19 33.2 2.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.7 -164.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 44.7 p30 -71.21 -166.93 0.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.068 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -91.82 -30.98 15.91 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.935 1.397 . . . . 1.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 19.0 t-20 -77.07 71.09 3.54 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 t30 -144.05 79.82 1.63 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.03 1.456 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 78.5 m-85 -89.06 175.53 7.36 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.033 1.458 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 4.8 mt-10 -110.22 -21.1 12.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 158.88 39.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.954 1.409 . . . . 1.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.08 -51.35 18.38 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.19 -37.26 69.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -66.98 -49.0 66.75 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.002 1.439 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.258 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 4.4 t -60.48 -31.89 70.9 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 1.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ASP . 36.2 mttm -80.75 -39.81 26.26 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.989 1.43 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.59 -46.46 73.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.015 1.447 . . . . 1.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -77.06 -49.4 23.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.418 . . . . 1.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 21.8 m -79.8 -87.95 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -31.63 -37.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.027 1.454 . . . . 1.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 58.94 176.76 0.07 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.97 1.419 . . . . 1.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -178.64 -78.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.104 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -79.18 2.37 8.37 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.477 2.784 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 t30 69.43 161.91 0.22 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.65 117.54 0.01 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.002 1.06 . . . . 1.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' C ' ' CG ' ' A' ' 2' ' ' TYR . 67.5 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.493 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 77.32 74.83 0.07 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.073 1.483 . . . . 1.0 109.304 -179.803 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -57.11 -177.12 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 1.0 109.297 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.6 37.71 1.55 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.035 1.459 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.4 t0 178.77 113.01 0.03 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.055 1.472 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -168.74 60.31 0.06 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.72 -48.78 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.038 1.461 . . . . 1.0 109.356 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -153.15 75.84 1.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.949 1.405 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.15 162.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 1.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -57.78 146.36 67.03 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.638 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -57.12 107.46 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.52 2.814 . . . . 1.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -61.43 -30.86 70.84 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.99 1.431 . . . . 1.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 11' ' ' PRO . 2.7 p90 -54.85 -30.8 58.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.994 1.434 . . . . 1.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.0 m -64.19 -37.76 88.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.026 1.454 . . . . 1.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -87.43 19.9 3.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.006 1.441 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.11 115.83 30.72 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 137.03 0.68 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 1.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.9 pt-20 -48.01 144.91 3.32 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HB3' ' N ' ' A' ' 50' ' ' ASN . 9.1 t0 -143.92 95.23 5.75 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 125.026 1.454 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -68.12 -9.5 25.97 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.528 2.818 . . . . 1.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.61 -149.28 17.69 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.92 -19.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.942 1.025 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 p -91.52 -177.85 4.93 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.0 1.438 . . . . 1.0 109.219 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' O ' ' C ' ' A' ' 25' ' ' GLY . 1.2 ttt85 -87.41 -67.17 0.84 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.981 1.426 . . . . 1.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 20.48 88.74 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.294 -1.523 . . . . 1.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 20.7 m-30 -95.38 141.12 29.32 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.968 1.04 . . . . 1.0 109.336 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -150.86 118.4 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.9 m -50.53 77.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 34.7 mmt180 -108.31 174.22 5.97 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.066 1.479 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.724 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 24.1 m-85 -126.81 154.89 43.7 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 9.8 p90 -150.68 144.86 25.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.999 1.437 . . . . 1.0 109.328 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 52.1 t80 -78.41 104.71 9.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.42 . . . . 1.0 109.302 -179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 55.0 t-20 -92.73 125.18 37.23 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.322 -179.486 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.81 -26.36 66.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 1.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.05 -47.89 44.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.953 1.408 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 37' ' ' LYS . 40.3 p -113.55 22.39 14.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' THR . 30.2 mtmm 32.29 51.21 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -158.72 -159.17 0.76 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.003 1.44 . . . . 1.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.4 m -109.37 122.7 47.93 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.0 1.438 . . . . 1.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -113.27 145.27 41.31 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.724 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 1.1 mtt180 -75.07 151.6 38.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.06 1.475 . . . . 1.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 1.5 p90 -172.6 174.94 3.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.948 1.405 . . . . 1.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.643 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -97.95 -177.39 3.74 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.008 1.442 . . . . 1.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD2' ' CG ' ' A' ' 53' ' ' ASN . 1.5 t80 -152.09 94.16 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.03 1.456 . . . . 1.0 109.33 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 24' ' ' ARG . . . -44.35 -42.85 7.25 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.296 -1.521 . . . . 1.0 109.296 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 107.04 -70.34 0.21 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 60.7 m -7.77 -97.72 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.059 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -99.0 -95.02 0.24 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.008 1.442 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.46 -160.55 53.8 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' HB3' ' A' ' 19' ' ' ASP . 48.8 p30 -124.03 -167.91 1.71 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 51' ' ' MET . 18.1 mmm -89.75 -18.82 25.61 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.962 1.414 . . . . 1.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -71.46 61.81 0.35 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.013 1.445 . . . . 1.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CG ' ' CD2' ' A' ' 44' ' ' TYR . 3.2 t30 -138.16 85.64 2.11 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.006 1.441 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 91.6 m-85 -90.53 173.19 8.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 36.2 mt-10 -103.32 -41.55 6.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.89 156.54 27.17 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 11.3 tp -65.86 -52.52 49.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.042 1.464 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.67 -34.32 58.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 59' ' ' GLU . 2.6 tp10 -67.71 -47.36 69.58 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 4.8 t -65.14 -26.91 68.39 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -80.48 -51.01 9.3 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.2 t30 -52.56 -41.77 63.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -75.63 -54.51 13.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.997 1.436 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.0 m -82.18 -82.07 0.14 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 3.7 mt-10 -35.26 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.989 1.431 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' LYS . 6.7 p-10 47.54 60.7 3.33 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.991 1.432 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 36.81 -147.1 0.07 OUTLIER Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -164.45 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.533 2.822 . . . . 1.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -79.84 151.62 30.14 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.975 1.422 . . . . 1.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.98 -49.73 0.85 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.345 0.408 0 O-C-N 125.022 1.072 . . . . 1.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 t0 . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.369 -0.824 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -74.32 90.98 2.15 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 1.0 109.301 -179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -171.87 121.56 0.48 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 1.0 109.349 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -155.33 129.57 8.9 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.987 1.429 . . . . 1.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -138.14 -176.87 4.59 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.952 1.407 . . . . 1.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -96.29 48.06 1.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -139.29 43.27 2.03 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.018 1.448 . . . . 1.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -27.1 12.38 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.024 1.453 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.2 mt -83.54 54.29 2.8 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.031 1.457 . . . . 1.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -151.73 149.82 24.82 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 1.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -72.82 105.2 1.89 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.512 2.808 . . . . 1.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 6.2 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.97 1.419 . . . . 1.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 2.6 p90 -54.82 -29.83 55.76 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.965 1.416 . . . . 1.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 22.9 m -64.17 -39.52 94.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.997 1.436 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 10.8 m-85 -74.53 -5.3 42.0 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.95 1.407 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.95 133.33 39.24 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.445 . . . . 1.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 154.01 11.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.976 1.423 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 12.0 pm0 -52.99 159.36 1.19 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 50' ' ' ASN . 12.0 t70 -153.9 105.39 2.48 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.996 1.435 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -83.43 32.56 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.494 2.796 . . . . 1.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' PRO . . . 39.19 -160.66 0.01 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.271 -1.531 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -89.64 -64.62 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.994 1.055 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 47' ' ' CYS . 2.4 p -41.46 163.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -110.86 -177.5 3.23 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 26' ' ' TYR . . . 147.98 -33.87 1.24 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 109.286 -1.525 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 13.4 m-30 50.58 92.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.071 . . . . 1.0 109.301 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -118.85 131.17 72.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.026 1.454 . . . . 1.0 109.323 -179.492 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -57.03 82.37 0.01 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 27.9 mmt85 -114.35 152.71 31.02 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.979 1.425 . . . . 1.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 9.1 m-85 -107.91 164.85 11.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.32 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 7.4 p90 -157.7 142.39 16.5 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.014 1.446 . . . . 1.0 109.276 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 48.0 t80 -75.53 88.67 2.69 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -66.89 115.78 7.02 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.948 1.405 . . . . 1.0 109.306 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 1.1 t30 -66.15 -29.36 69.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.959 1.412 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.86 -21.07 66.28 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 m -127.73 9.51 6.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 36.06 44.63 0.27 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.05 35.7 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.053 1.471 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 92.5 m -79.55 114.64 18.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.992 1.432 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.87 151.15 27.4 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.006 1.441 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.658 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -79.26 135.89 36.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.034 1.458 . . . . 1.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.8 p90 -154.97 166.06 34.75 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.004 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.3 mppt? -75.38 -168.25 0.78 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.3 t80 -169.76 43.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.995 1.434 . . . . 1.0 109.33 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' CYS . . . -42.48 -22.64 0.14 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -69.63 162.8 52.1 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 2.9 m -121.72 2.5 10.06 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.015 1.068 . . . . 1.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.83 38.2 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' CA ' ' OD2' ' A' ' 19' ' ' ASP . . . -61.73 -152.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 52.6 p30 -56.43 -167.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.016 1.068 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtp -95.43 -24.26 16.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -73.16 60.12 0.56 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.032 1.457 . . . . 1.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.556 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -141.45 92.69 2.49 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.012 1.445 . . . . 1.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 67.7 m-85 -101.48 169.31 8.95 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.455 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.09 -36.69 8.47 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.958 1.411 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -117.84 157.67 26.19 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.028 1.455 . . . . 1.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 39' ' ' CYS . 9.8 tp -67.74 -53.48 27.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.32 -29.16 46.89 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.051 1.47 . . . . 1.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -47.33 54.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 36.7 t -68.37 -27.9 66.64 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.994 1.434 . . . . 1.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.617 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -79.01 -50.82 10.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.939 1.4 . . . . 1.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 7.4 t-20 -52.4 -44.24 65.25 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.022 1.452 . . . . 1.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mp -76.45 -54.05 14.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.895 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 20.5 m -79.89 -89.69 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.46 . . . . 1.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 5.7 mt-10 -30.44 -37.08 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.73 -179.59 0.1 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.994 1.434 . . . . 1.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.67 -147.75 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 61.94 5.86 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.502 2.801 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 61.81 144.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.049 1.468 . . . . 1.0 109.256 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.44 65.11 1.97 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 109.24 -1.544 . . . . 1.0 109.24 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 1.2 t80 . . . . . 0 C--N 1.345 0.371 0 O-C-N 124.986 1.051 . . . . 1.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.415 -0.802 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.9 m-85 80.7 27.42 0.24 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.433 . . . . 1.0 109.333 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.28 179.17 7.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.034 1.459 . . . . 1.0 109.308 -179.417 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -64.66 -161.49 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -117.06 169.6 9.3 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.024 1.453 . . . . 1.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.01 47.93 2.45 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.5 p30 -166.36 -166.11 0.85 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.951 1.407 . . . . 1.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.0 ttpt 91.7 26.97 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.24 38.27 28.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.948 1.405 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 155.02 64.43 Favored Pre-proline 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.599 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.2 Cg_endo -73.09 105.83 2.04 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.493 2.795 . . . . 1.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 33.3 m-20 -62.96 -30.82 71.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 1.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.9 p90 -55.02 -28.22 50.43 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 14.2 m -63.92 -40.32 96.2 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 8.8 m-85 -78.72 -2.93 41.71 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.57 115.1 12.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.013 1.446 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -36.25 152.81 0.01 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 pt-20 -61.82 145.2 53.35 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . 20.2 t0 -148.6 105.1 3.48 Favored Pre-proline 0 C--O 1.241 0.61 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -78.08 -25.49 7.3 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.509 2.806 . . . . 1.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.64 -166.5 12.57 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.275 -1.53 . . . . 1.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -49.16 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.055 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 60.4 m -52.02 -175.99 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -101.4 -71.81 0.7 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.011 1.445 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . 16.3 91.78 0.01 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.599 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 16.3 m-30 -94.64 144.83 25.28 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.026 1.074 . . . . 1.0 109.303 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 1.8 mt -152.84 128.15 1.59 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.002 1.439 . . . . 1.0 109.322 -179.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.93 84.52 0.01 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.043 1.464 . . . . 1.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 2.6 mmt-85 -109.99 165.24 11.88 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.975 1.422 . . . . 1.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.729 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 27.4 m-85 -119.44 160.85 21.55 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.014 1.446 . . . . 1.0 109.33 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.634 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 12.4 p90 -154.32 148.83 26.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.322 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 28.7 t80 -80.93 109.12 15.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.986 1.429 . . . . 1.0 109.31 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 56.5 t-20 -96.38 122.53 39.37 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.047 1.467 . . . . 1.0 109.325 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.04 -24.89 66.04 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.995 1.434 . . . . 1.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.31 -34.28 32.71 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.986 1.429 . . . . 1.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -126.76 12.47 7.34 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 42.06 48.27 4.04 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.467 . . . . 1.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 2.1 tt0 -154.69 -159.91 1.01 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 90.3 m -110.05 123.12 49.11 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.035 1.46 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' CD ' ' HB3' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -116.4 146.15 42.71 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.948 1.405 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.729 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -72.33 148.77 45.01 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.02 1.45 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 43' ' ' LYS . 2.2 p90 -167.07 160.3 13.87 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.969 1.418 . . . . 1.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 2.1 mppt? -74.7 -179.53 4.18 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.96 1.413 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.609 ' CZ ' ' HA2' ' A' ' 46' ' ' GLY . 4.8 t80 -160.12 104.12 1.48 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' PRO . . . -57.42 -36.29 76.1 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 47' ' ' CYS . . . 82.53 -72.96 2.73 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 35.8 m -14.41 -62.95 0.01 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.002 1.06 . . . . 1.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -123.21 -87.13 0.64 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.003 1.439 . . . . 1.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.42 -161.92 33.94 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.253 -1.539 . . . . 1.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 19' ' ' ASP . 31.3 p-10 -122.9 -157.47 0.75 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.067 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . 3.1 mtm -78.41 -77.31 0.17 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' MET . 20.2 t-20 -33.5 95.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.415 . . . . 1.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 44' ' ' TYR . 1.5 t30 -167.69 92.67 0.38 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.005 1.441 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 79.0 m-85 -105.63 171.56 7.26 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 1.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 29.3 mt-10 -105.3 -35.31 7.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.984 1.428 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -118.41 151.34 37.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.027 1.455 . . . . 1.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 39' ' ' CYS . 15.0 tp -62.66 -51.48 67.08 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -53.2 -48.56 67.98 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -53.39 -50.73 64.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.959 1.412 . . . . 1.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.937 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 t -60.05 -26.97 66.55 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.442 . . . . 1.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -78.61 -52.28 8.67 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.008 1.442 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -50.89 -51.43 51.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.986 1.429 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -67.96 -53.79 27.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.981 1.426 . . . . 1.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.9 m -80.44 -87.57 0.08 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.93 1.394 . . . . 1.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.3 mt-10 -32.6 -35.25 0.02 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.429 . . . . 1.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER 94.51 170.08 0.02 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.18 168.62 19.25 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.26 -15.12 25.54 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.493 2.795 . . . . 1.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -71.95 -13.91 61.77 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.001 1.438 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.64 40.95 36.76 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.345 0.392 0 O-C-N 125.001 1.059 . . . . 1.0 109.304 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.239 0.51 0 CA-C-O 118.439 -0.791 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -102.67 100.69 10.76 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 1.0 109.29 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.5 140.76 55.69 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.016 1.447 . . . . 1.0 109.301 -179.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 177.64 -82.57 0.0 OUTLIER 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.974 1.421 . . . . 1.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -150.36 146.51 26.77 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.047 1.467 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -153.45 178.39 9.86 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.056 1.472 . . . . 1.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.61 -83.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.453 . . . . 1.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ASP . 0.6 OUTLIER 175.6 173.63 0.29 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.001 1.438 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -99.93 178.6 4.76 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.421 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -36.38 147.89 0.18 Allowed Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -73.01 100.74 1.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.492 2.794 . . . . 1.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 28.0 t0 -60.18 -33.63 72.48 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.595 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.1 p90 -52.68 -32.2 41.28 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.978 1.424 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 59.3 m -60.25 -41.5 93.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.935 1.397 . . . . 1.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.9 m-85 -78.06 -11.8 59.94 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.019 1.45 . . . . 1.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -61.14 117.39 5.48 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.979 1.424 . . . . 1.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 16' ' ' LEU . 11.0 mt-10 -34.06 130.61 0.32 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 1.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.8 pt-20 -42.12 134.88 2.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.511 ' CB ' ' OD1' ' A' ' 50' ' ' ASN . 6.5 t0 -130.79 103.62 15.86 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -79.07 -22.01 8.9 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.531 2.821 . . . . 1.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 22' ' ' ILE . . . 93.22 154.41 31.11 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -34.92 -75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.052 1.089 . . . . 1.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.947 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 15.5 p -40.72 163.96 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.954 1.409 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.63 18.36 19.1 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.996 1.435 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 44' ' ' TYR . . . -55.96 84.13 0.01 OUTLIER Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.299 -1.521 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 14.1 m-30 -67.17 150.99 48.36 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.044 . . . . 1.0 109.285 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.81 21.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 1.0 109.293 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' THR . 5.0 m 39.72 57.16 2.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 33.7 mmt180 -89.1 -176.8 5.26 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.686 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 5.7 m-85 -129.56 155.7 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.012 1.445 . . . . 1.0 109.342 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.5 p90 -151.28 144.66 24.82 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.308 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.557 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 19.5 t80 -77.27 112.54 14.09 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.991 1.432 . . . . 1.0 109.262 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 57.0 t-20 -100.0 124.61 45.55 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.964 1.415 . . . . 1.0 109.346 -179.529 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.35 -35.86 82.26 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -52.07 -26.3 10.68 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.021 1.45 . . . . 1.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' LYS . 21.2 p -125.65 16.18 8.14 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.948 1.405 . . . . 1.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 30.68 41.21 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 1.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -153.57 -154.52 0.53 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.425 . . . . 1.0 109.347 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.6 m -111.55 129.82 55.94 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.021 1.45 . . . . 1.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 9.9 mm-40 -114.31 140.4 48.65 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.008 1.443 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -73.75 117.87 16.04 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -138.36 147.96 44.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -77.55 137.01 38.36 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.971 1.419 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CE2' ' ND2' ' A' ' 53' ' ' ASN . 2.5 t80 -106.98 96.68 6.6 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.277 -179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' O ' ' SG ' ' A' ' 23' ' ' CYS . . . -38.79 -44.97 1.98 Allowed Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.548 ' HA2' ' CZ ' ' A' ' 44' ' ' TYR . . . 68.33 92.82 0.05 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.947 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -165.68 -58.95 0.03 OUTLIER 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.988 1.052 . . . . 1.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.43 26.99 0.58 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.5 -149.18 0.02 OUTLIER Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.325 -1.51 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -140.86 -177.82 5.26 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.958 1.034 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.492 ' O ' ' C ' ' A' ' 52' ' ' ASN . 21.9 mmm -40.35 -74.31 0.04 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 51' ' ' MET . 15.1 t-20 -27.98 96.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.979 1.424 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.613 ' ND2' ' CE2' ' A' ' 44' ' ' TYR . 1.7 t30 167.87 91.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.704 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 68.4 m-85 -102.5 171.3 7.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 1.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 30.6 mt-10 -102.04 -42.16 6.19 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.043 1.464 . . . . 1.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -118.99 145.17 46.04 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.996 1.435 . . . . 1.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 5.1 tp -54.53 -47.12 73.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.019 1.449 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.27 -36.93 66.64 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.955 1.409 . . . . 1.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.36 -45.25 76.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 44.0 t -66.3 -27.72 68.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG2' ' SG ' ' A' ' 39' ' ' CYS . 2.4 mttt -80.42 -47.04 14.98 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.975 1.422 . . . . 1.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.12 -52.46 58.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.023 1.452 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mt -68.49 -53.03 30.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.002 1.439 . . . . 1.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 23.0 m -78.71 -86.41 0.07 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.599 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -34.16 -34.18 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.021 1.451 . . . . 1.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER 97.12 166.49 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.12 -86.7 0.06 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' O ' ' CE1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -74.58 -164.37 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.527 2.818 . . . . 1.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 12.6 m120 55.75 -84.18 0.01 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' PRO . . . 173.31 -38.66 0.14 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.416 0 O-C-N 124.963 1.037 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -53.19 5.23 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.994 1.434 . . . . 1.0 109.275 -179.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.58 27.14 16.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.015 1.447 . . . . 1.0 109.31 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 4' ' ' ASP . 23.3 p-10 178.63 107.06 0.03 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.021 1.451 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.75 89.96 3.15 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.985 1.428 . . . . 1.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 40.71 34.94 0.28 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.047 1.467 . . . . 1.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.9 t70 60.55 151.91 0.02 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.958 1.412 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 91.8 -172.48 0.01 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -122.54 132.53 54.36 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.971 1.419 . . . . 1.0 109.312 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -106.38 151.18 40.21 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.979 1.425 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.581 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.4 Cg_endo -68.68 104.61 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.459 2.773 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 1.3 p30 -63.6 -30.85 71.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.457 . . . . 1.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 5.6 p90 -55.86 -24.07 34.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.979 1.424 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 40.8 m -65.64 -40.56 92.63 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.046 1.466 . . . . 1.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 7.1 m-85 -82.2 4.65 22.61 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.443 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 143.51 36.1 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.97 152.99 5.21 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.978 1.424 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 pt-20 -68.77 144.25 54.39 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.013 1.445 . . . . 1.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -137.5 103.93 8.54 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.961 1.413 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -76.23 -14.35 18.6 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.832 . . . . 1.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.25 -128.88 9.19 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -128.55 -68.09 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.027 1.075 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.664 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 6.2 m -31.43 90.09 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.003 1.439 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.94 67.81 0.11 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.75 -27.56 6.3 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CG ' ' HG2' ' A' ' 43' ' ' LYS . 14.6 m-30 61.21 107.38 0.02 OUTLIER 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.001 1.059 . . . . 1.0 109.294 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -123.59 22.86 4.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.003 1.439 . . . . 1.0 109.285 -179.449 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.1 m 41.92 82.63 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.446 . . . . 1.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 22.9 mmt180 -108.15 171.49 7.38 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.974 1.421 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.753 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 4.4 m-85 -122.59 160.86 24.83 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 1.0 109.313 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 5.3 p90 -158.15 151.83 23.62 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.947 1.404 . . . . 1.0 109.303 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 37.0 t80 -83.54 95.94 8.46 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.283 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 17.9 t-20 -84.07 122.33 28.65 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 1.0 109.261 -179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -69.07 -24.58 64.18 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.035 1.46 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.8 -40.99 43.5 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 1.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -111.77 -7.92 14.19 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 124.991 1.432 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.88 51.45 2.34 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.036 1.46 . . . . 1.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.09 -176.1 1.32 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.99 1.432 . . . . 1.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 91.7 m -84.93 127.52 34.21 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.993 1.433 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' CB ' ' A' ' 33' ' ' ASN . 4.5 mt-10 -121.26 144.82 48.41 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.997 1.436 . . . . 1.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.753 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -78.94 116.97 19.59 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 4.3 p90 -130.66 149.0 52.52 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -62.13 162.3 9.72 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.53 ' CD2' HD13 ' A' ' 27' ' ' ILE . 1.8 t80 -132.02 58.27 1.75 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.981 1.426 . . . . 1.0 109.312 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.64 69.04 0.11 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . -172.33 169.35 42.47 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.664 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.6 m -108.39 -11.36 15.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.027 1.075 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.26 72.26 0.04 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.021 1.451 . . . . 1.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.25 -136.08 0.15 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 51.5 p30 -85.88 -166.78 1.63 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.076 . . . . 1.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -31.58 26.23 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.018 1.449 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 36.2 t30 -77.13 58.5 1.57 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.011 1.445 . . . . 1.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 26.4 t30 -143.38 60.64 1.4 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 1.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 65.3 m-85 -64.78 172.05 3.03 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.008 1.442 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 22.7 mt-10 -106.34 -27.52 10.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.028 1.455 . . . . 1.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 p -126.11 146.52 49.9 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.041 1.463 . . . . 1.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.8 tp -59.19 -51.31 70.53 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -52.57 -51.0 61.84 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.998 1.436 . . . . 1.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -45.36 70.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.266 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 11.0 t -65.39 -26.62 68.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -77.74 -52.15 9.41 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -49.92 60.27 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.966 1.416 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 11.4 mm -69.28 -55.51 15.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.995 1.435 . . . . 1.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 13.0 m -78.75 -86.37 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.034 1.459 . . . . 1.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.58 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 10.9 mt-10 -34.76 -32.84 0.02 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.96 1.412 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER 94.23 -31.93 0.02 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.445 . . . . 1.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.54 170.55 13.22 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.334 -1.506 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.56 121.27 6.27 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.584 2.856 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 m120 36.26 89.99 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.48 -117.9 5.87 Favored Glycine 0 C--N 1.344 1.02 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 66' ' ' ASP . 2.4 m-85 . . . . . 0 C--N 1.346 0.425 0 O-C-N 124.989 1.053 . . . . 1.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 . . . . . 0 C--O 1.24 0.591 0 CA-C-O 118.39 -0.814 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -170.86 166.07 7.74 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 1.0 109.325 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 155.55 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.302 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.1 t0 -109.64 -75.59 0.62 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 1.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 4.0 t0 86.15 107.53 0.05 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 1.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -53.43 -27.06 22.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.955 1.409 . . . . 1.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.8 81.81 0.04 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.971 1.42 . . . . 1.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.15 -91.68 0.13 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.021 1.451 . . . . 1.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 73.14 -155.73 0.08 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -138.12 148.78 61.34 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.03 1.457 . . . . 1.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.3 Cg_endo -70.08 106.82 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 1.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 5.9 m-20 -63.71 -28.07 69.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 3.8 p90 -58.03 -25.05 60.67 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.983 1.427 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 13.9 m -65.17 -37.67 88.09 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' ASP . 6.3 m-85 -85.71 6.15 28.99 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.007 1.442 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.06 122.8 26.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.976 1.423 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.78 138.11 1.07 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.43 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -55.82 148.44 16.77 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.0 1.437 . . . . 1.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.09 109.29 4.64 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 124.993 1.433 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 45' ' ' GLY . 18.4 Cg_endo -83.58 31.95 0.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.519 2.813 . . . . 1.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 49' ' ' GLY . . . 42.57 -142.56 1.52 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.278 -1.529 . . . . 1.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -134.86 70.09 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.994 1.055 . . . . 1.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 25.3 m -164.2 78.8 0.38 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.005 1.441 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -17.83 -53.58 0.01 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.968 1.417 . . . . 1.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -19.27 90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.26 -1.536 . . . . 1.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 21.8 m-30 -75.19 145.2 42.24 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.045 . . . . 1.0 109.327 -179.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 44' ' ' TYR . 1.2 mp -134.16 22.11 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.925 1.39 . . . . 1.0 109.301 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ILE . 95.1 m 34.24 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.035 1.459 . . . . 1.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 9.1 mmt180 -113.77 177.01 4.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.437 . . . . 1.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.722 ' CE2' ' HG3' ' A' ' 41' ' ' ARG . 3.3 m-85 -125.78 160.72 29.07 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.025 1.453 . . . . 1.0 109.368 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 7.8 p90 -156.13 151.03 26.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.019 1.45 . . . . 1.0 109.294 -179.462 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 42.5 t80 -83.01 90.49 7.02 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.033 1.458 . . . . 1.0 109.326 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 51.3 t30 -65.08 114.56 4.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 -179.458 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.92 -34.72 78.6 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -21.4 61.36 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.008 1.443 . . . . 1.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 36' ' ' THR . 3.1 m -127.55 8.84 6.48 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 33.79 47.28 0.16 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.958 1.411 . . . . 1.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 164.16 36.06 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 1.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 95.4 m -78.89 116.89 19.5 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.947 1.404 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.22 144.52 43.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.055 1.472 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.722 ' HG3' ' CE2' ' A' ' 30' ' ' TYR . 2.6 ttp180 -76.71 116.58 17.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 3.4 p90 -129.9 150.25 51.27 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.029 1.455 . . . . 1.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HG2' ' CG ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -69.83 149.73 47.59 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.5 t80 -120.58 49.1 1.49 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.949 1.405 . . . . 1.0 109.32 -179.794 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' CYS . . . -65.59 59.82 0.12 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . -148.97 146.14 15.24 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m -91.72 19.14 6.71 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.017 1.069 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.78 -49.49 0.02 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.022 1.451 . . . . 1.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 21' ' ' GLY . . . 52.05 -154.47 5.06 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 47.6 p30 -104.27 -165.45 1.15 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.079 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE3' ' CD2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -80.0 -41.83 25.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.987 1.429 . . . . 1.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 43.6 t30 -67.93 62.55 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.03 1.456 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 10.0 t30 -143.32 76.06 1.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 80.9 m-85 -79.28 166.03 22.57 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.97 1.419 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 15.5 mt-10 -100.6 -25.67 14.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.431 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -128.82 146.27 50.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.031 1.457 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.1 tp -58.43 -52.24 66.44 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.951 1.407 . . . . 1.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.39 -51.14 60.56 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.991 1.432 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -53.0 -42.26 65.42 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 10.0 t -68.64 -27.92 66.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -80.0 -52.66 7.56 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.991 1.432 . . . . 1.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ASP . 2.3 t-20 -52.24 -41.12 62.52 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 1.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' HB ' ' CE2' ' A' ' 54' ' ' PHE . 12.3 mm -76.76 -55.45 10.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.04 1.462 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 57.4 m -79.32 -89.25 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.036 1.46 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -32.13 -35.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.9 p-10 47.85 96.51 0.01 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.25 162.45 0.03 OUTLIER Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.32 14.01 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.53 2.82 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -44.76 -28.78 0.67 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.452 . . . . 1.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.77 124.39 4.44 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 . . . . . 0 C--N 1.346 0.427 0 O-C-N 125.021 1.071 . . . . 1.0 109.242 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.4 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.06 138.4 40.64 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.0 1.438 . . . . 1.0 109.301 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' CA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -62.28 -59.79 4.51 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 1.0 109.301 -179.438 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.33 124.4 45.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.021 1.451 . . . . 1.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.04 162.23 0.13 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.961 1.413 . . . . 1.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 -167.42 2.38 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.018 1.449 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.14 73.75 0.05 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.013 1.446 . . . . 1.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 28.03 9.12 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tt -87.28 152.8 21.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.986 1.429 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' CE ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -115.32 132.48 23.06 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 124.985 1.428 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . 18.1 Cg_endo -54.34 110.02 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.476 2.784 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -27.82 69.6 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.988 1.43 . . . . 1.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE2' ' CB ' ' A' ' 11' ' ' PRO . 1.8 p90 -57.02 -26.06 59.63 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 18.1 m -67.53 -33.58 75.36 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -84.89 10.55 11.35 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.985 1.428 . . . . 1.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.37 124.42 36.42 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.11 146.86 0.39 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.437 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.4 pt-20 -48.06 141.82 5.71 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.989 1.43 . . . . 1.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' C ' ' A' ' 49' ' ' GLY . 19.3 t0 -135.57 93.03 16.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 18.1 Cg_endo -74.12 -2.75 12.74 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.511 2.807 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.97 -108.8 3.5 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.807 ' O ' ' O ' ' A' ' 23' ' ' CYS . 4.1 mt -150.94 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.023 1.072 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.807 ' O ' ' O ' ' A' ' 22' ' ' ILE . 59.4 m -5.62 -120.85 0.0 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.044 1.465 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CG ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -172.39 34.84 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' N ' ' HA2' ' A' ' 45' ' ' GLY . . . -41.16 -64.25 1.35 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 9.2 m-30 64.46 119.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.012 1.066 . . . . 1.0 109.291 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG1' ' C ' ' A' ' 26' ' ' TYR . 3.6 mt -152.95 25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.001 1.438 . . . . 1.0 109.342 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' THR . 2.6 m 39.91 52.94 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.921 1.388 . . . . 1.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' A' ' 55' ' ' GLU . 1.9 mmm-85 -83.47 -178.78 7.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.035 1.459 . . . . 1.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.671 ' CE2' ' CD ' ' A' ' 41' ' ' ARG . 7.5 m-85 -127.17 157.52 39.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 -179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 18' ' ' GLU . 14.8 p90 -149.69 157.76 43.53 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.613 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . 36.6 t80 -89.29 106.3 18.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.988 1.43 . . . . 1.0 109.333 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.23 125.74 33.78 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.05 -32.0 66.67 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.987 1.429 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -19.83 65.02 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 36' ' ' THR . 3.2 m -125.19 7.49 7.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.991 1.432 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.9 OUTLIER 35.26 44.49 0.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.88 -164.77 1.7 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.02 1.45 . . . . 1.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 56.9 m -105.61 120.92 42.87 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.01 1.443 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.5 42.22 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.001 1.438 . . . . 1.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.671 ' CD ' ' CE2' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -72.09 149.9 44.39 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.991 1.432 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 1.1 p90 -171.83 161.28 5.83 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.88 154.97 21.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.025 1.453 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 1.4 t80 -120.92 83.28 2.04 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 -179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 20' ' ' PRO . . . -33.2 -36.5 0.04 OUTLIER Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.293 -1.523 . . . . 1.0 109.293 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TYR . . . 57.74 90.14 0.01 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 m -172.01 -42.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.98 1.047 . . . . 1.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.22 45.69 0.09 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.036 1.46 . . . . 1.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' OD2' ' A' ' 19' ' ' ASP . . . -82.84 -141.06 3.95 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.258 -1.537 . . . . 1.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -138.82 -166.39 2.01 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.05 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.575 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 7.7 mtp -92.91 28.56 2.05 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.995 1.435 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 31' ' ' PHE . 9.1 t30 -111.74 38.78 2.53 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.999 1.437 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.568 ' OD1' ' CB ' ' A' ' 29' ' ' ARG . 6.8 t30 -129.39 122.18 28.91 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.016 1.448 . . . . 1.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.62 ' O ' ' HB3' ' A' ' 29' ' ' ARG . 96.9 m-85 -118.43 162.19 18.73 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.983 1.427 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 21.6 mt-10 -91.13 -45.04 8.89 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.956 1.41 . . . . 1.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.07 146.64 39.95 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.987 1.43 . . . . 1.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 7.9 tp -56.25 -51.71 67.12 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.023 1.452 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -52.26 -47.96 65.5 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.949 1.405 . . . . 1.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -44.07 67.25 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 5.4 t -66.05 -27.97 68.5 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.006 1.441 . . . . 1.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -79.13 -53.14 7.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.958 1.411 . . . . 1.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -51.72 -42.15 62.05 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.981 1.426 . . . . 1.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.6 mm -74.75 -53.11 17.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.007 1.442 . . . . 1.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m -83.79 -81.76 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.528 ' HB2' ' CA ' ' A' ' 61' ' ' LYS . 1.9 mt-10 -34.56 -34.14 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 60.28 156.23 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.01 1.444 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.63 -174.99 24.9 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.324 -1.511 . . . . 1.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.71 -75.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.523 2.815 . . . . 1.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 71' ' ' PHE . 12.1 m120 -51.2 141.03 15.34 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.069 1.48 . . . . 1.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.73 -96.07 0.01 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' ASN . 1.3 t80 . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.051 1.089 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 stop_ save_