data_1ns1_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 1ns1 _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 ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.47 ' CE2' HG22 ' A' ' 65' ' ' VAL . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 36' ' ' LEU . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.734 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CE2' HG21 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.632 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.632 ' H ' HD21 ' A' ' 53' ' ' ASN . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.557 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.75 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.5 OUTLIER -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.557 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.557 ' H ' HD21 ' B' ' 53' ' ' ASN . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HG22 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.43 ' CD1' HD13 ' A' ' 36' ' ' LEU . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.74 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.628 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.503 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.628 ' H ' HD21 ' A' ' 53' ' ' ASN . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.535 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 63' ' ' GLN . 1.3 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.45 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.758 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.482 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.578 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.491 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.578 ' H ' HD21 ' B' ' 53' ' ' ASN . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.525 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.439 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.2 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.525 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' A' ' 65' ' ' VAL . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 36' ' ' LEU . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.744 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.63 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.485 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.63 ' H ' HD21 ' A' ' 53' ' ' ASN . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.523 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.24 0.595 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.752 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.752 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.478 HD13 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.561 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.561 ' H ' HD21 ' B' ' 53' ' ' ASN . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.488 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.488 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.24 0.597 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HG ' ' H ' ' A' ' 8' ' ' SER . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 7' ' ' SER . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CD1' HD13 ' A' ' 36' ' ' LEU . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG21 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD13 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.623 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.623 ' H ' HD21 ' A' ' 53' ' ' ASN . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.541 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 63' ' ' GLN . 1.2 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' B' ' 8' ' ' SER . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' B' ' 7' ' ' SER . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.477 ' CD1' HD13 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.493 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.755 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.755 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.3 OUTLIER -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.571 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.498 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.571 ' H ' HD21 ' B' ' 53' ' ' ASN . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.535 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.1 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CE1' HD22 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HG ' HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CZ2' ' CD ' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.601 ' CD2' ' HG1' ' A' ' 58' ' ' THR . 57.4 m-70 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' CB ' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.737 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' CD ' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.467 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.483 HG13 ' HG ' ' A' ' 13' ' ' CYS . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.601 ' HG1' ' CD2' ' A' ' 17' ' ' HIS . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 71' ' ' GLU . 3.8 pt-20 . . . . . 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG22 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.511 HD11 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HG1' ' B' ' 58' ' ' THR . 51.2 m-70 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.511 HH21 HD11 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' B' ' 25' ' ' GLN . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.503 ' CB ' HD21 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.766 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.487 ' HA ' HH11 ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.495 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.511 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.443 HD23 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.416 ' C ' HD21 ' B' ' 53' ' ' ASN . 0.2 OUTLIER -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.624 ' HG1' ' CG ' ' B' ' 17' ' ' HIS . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.401 ' N ' HG21 ' B' ' 58' ' ' THR . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' B' ' 32' ' ' PHE . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.446 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HA ' ' HG1' ' A' ' 58' ' ' THR . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.481 ' CE2' HD12 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 58' ' ' THR . 16.7 m-70 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.458 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.7 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CD2' HG12 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD12 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HE21 ' A' ' 40' ' ' GLN . 1.0 OUTLIER -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.471 ' H ' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' HG ' ' A' ' 13' ' ' CYS . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 17' ' ' HIS . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG22 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' ' HZ1' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HZ1' ' A' ' 70' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.617 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.421 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.512 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD12 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' B' ' 58' ' ' THR . 16.2 m-70 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.481 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.468 ' CD2' HG12 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.488 HD12 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.481 HD11 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.481 ' H ' HD11 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.513 HG22 ' CE1' ' B' ' 17' ' ' HIS . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' B' ' 66' ' ' GLU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.443 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.1 mt-10 . . . . . 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' HG ' HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE2' ' NE2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HG1' ' A' ' 58' ' ' THR . 47.7 m-70 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' CB ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.86 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.86 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' CD1' HD13 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.55 HD13 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.639 ' HG1' ' CG ' ' A' ' 17' ' ' HIS . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.512 HG22 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.498 ' CE2' HG22 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.647 ' CG ' ' HG1' ' B' ' 58' ' ' THR . 47.1 m-70 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.429 HG12 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.43 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.506 ' CB ' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.882 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.882 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.545 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.491 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.538 ' CD1' HD13 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' B' ' 17' ' ' HIS . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.463 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.498 HG22 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' B' ' 71' ' ' GLU . 4.3 pt-20 . . . . . 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.65 ' N ' ' HG1' ' A' ' 58' ' ' THR . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 58' ' ' THR . 20.4 m-70 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.539 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.739 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.65 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.432 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' B' ' 3' ' ' SER . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.44 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.65 ' N ' ' HG1' ' B' ' 58' ' ' THR . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.431 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' B' ' 58' ' ' THR . 19.2 m-70 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.424 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.739 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.739 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.65 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.438 HD12 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.401 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG1' ' A' ' 58' ' ' THR . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 58' ' ' THR . 18.6 m-70 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG3' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 HE21 ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD21 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 HE21 ' CA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.447 HG12 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.526 ' N ' ' HG1' ' B' ' 58' ' ' THR . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.46 ' HA ' HG23 ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.505 ' CE1' HG22 ' B' ' 58' ' ' THR . 19.5 m-70 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.478 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.411 ' HG3' HE21 ' B' ' 21' ' ' GLN . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.411 HE21 ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.429 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.509 ' CD2' HG12 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.478 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.475 ' CA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.526 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' HG ' ' HB3' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.458 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.696 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.542 ' CG1' HD13 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CD2' HD12 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.728 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD2' HG12 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 HD13 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.696 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.8 OUTLIER -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB3' ' HG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HZ2' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.491 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.478 HD23 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.487 ' CG ' HD23 ' B' ' 43' ' ' LEU . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.648 HH22 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.445 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.539 ' CD2' HG12 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.648 ' HE ' HH22 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.493 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.487 HD23 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.491 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD23 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' HZ2' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.478 HG12 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.532 HD12 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.602 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HG ' HG21 ' A' ' 54' ' ' ILE . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.63 ' N ' ' HG1' ' A' ' 58' ' ' THR . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' A' ' 58' ' ' THR . 21.0 m-70 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.608 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.491 ' CG2' HD22 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD22 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.777 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.777 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.608 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.2 OUTLIER -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.488 HD12 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' H ' ' HB2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG21 ' HG ' ' A' ' 13' ' ' CYS . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.63 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HA ' ' HZ1' ' A' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 3' ' ' SER . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.541 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.49 ' HG ' HG21 ' B' ' 54' ' ' ILE . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.631 ' N ' ' HG1' ' B' ' 58' ' ' THR . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.435 ' HA ' HG23 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' B' ' 58' ' ' THR . 21.0 m-70 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.638 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.443 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.638 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.477 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.2 OUTLIER -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.49 HG21 ' HG ' ' B' ' 13' ' ' CYS . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.631 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . 0.541 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD22 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.433 HD22 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.422 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.501 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.64 ' N ' ' HG1' ' A' ' 58' ' ' THR . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 58' ' ' THR . 20.3 m-70 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.699 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.699 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.64 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.507 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.508 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.507 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.657 ' N ' ' HG1' ' B' ' 58' ' ' THR . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.429 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.425 ' CE2' HD12 ' B' ' 36' ' ' LEU . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' B' ' 58' ' ' THR . 20.4 m-70 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.425 HD12 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.657 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 3' ' ' SER . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' CZ ' ' B' ' 32' ' ' PHE . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.61 ' N ' ' HG1' ' A' ' 58' ' ' THR . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CG ' HD23 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' A' ' 58' ' ' THR . 22.3 m-70 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.599 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 36' ' ' LEU . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.743 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.743 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.43 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.547 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 3' ' ' SER . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.618 ' N ' ' HG1' ' B' ' 58' ' ' THR . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.444 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.406 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.507 ' CE1' HG22 ' B' ' 58' ' ' THR . 22.9 m-70 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.694 HE21 ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.763 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.763 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD23 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' N ' ' HG1' ' A' ' 58' ' ' THR . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' A' ' 58' ' ' THR . 21.3 m-70 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.523 ' CB ' HD21 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' C ' ' HZ1' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 . . . . . 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.478 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.645 ' N ' ' HG1' ' B' ' 58' ' ' THR . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' B' ' 58' ' ' THR . 20.9 m-70 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.507 ' CB ' HD21 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.408 ' HD2' HH11 ' B' ' 35' ' ' ARG . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.476 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.431 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.1 mt-10 . . . . . 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.241 0.616 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' HG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HG ' ' HA ' ' A' ' 10' ' ' GLN . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.492 ' CZ ' HG12 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD23 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.631 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' CD2' ' NE ' ' A' ' 37' ' ' ARG . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.487 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' CD2' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ2' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.47 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.482 ' HA ' ' HG ' ' B' ' 13' ' ' CYS . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.482 ' HG ' ' HA ' ' B' ' 10' ' ' GLN . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.53 HD23 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.466 ' CG ' HD23 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' B' ' 15' ' ' LEU . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.621 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.432 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.53 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.614 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.53 ' CD2' HG12 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.538 HD13 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.621 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.434 ' CZ ' HD22 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.481 ' HZ2' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.454 HG22 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.514 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' HG1' ' A' ' 58' ' ' THR . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 58' ' ' THR . 22.8 m-70 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.726 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.485 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.61 ' N ' ' HG1' ' B' ' 58' ' ' THR . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' B' ' 58' ' ' THR . 21.8 m-70 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.533 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.733 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.494 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE2' ' CG2' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.03 143.56 39.26 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.0 1.437 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -70.29 -35.5 73.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CG2' ' HE2' ' A' ' 1' ' ' MET . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.47 ' CE2' HG22 ' A' ' 65' ' ' VAL . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 36' ' ' LEU . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.734 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CE2' HG21 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.632 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.632 ' H ' HD21 ' A' ' 53' ' ' ASN . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.21 -19.38 50.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.27 97.08 0.26 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.975 1.422 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.944 1.403 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.01 138.48 54.53 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.013 1.446 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -72.9 -36.61 67.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.75 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.5 OUTLIER -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.557 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.557 ' H ' HD21 ' B' ' 53' ' ' ASN . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.84 -19.86 51.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.02 97.02 0.28 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.018 1.449 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.987 1.429 . . . . 0.0 109.278 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -76.85 143.73 39.52 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.994 1.434 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.14 -35.57 74.15 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.041 1.463 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HG22 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.43 ' CD1' HD13 ' A' ' 36' ' ' LEU . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.74 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.628 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.503 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.628 ' H ' HD21 ' A' ' 53' ' ' ASN . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.535 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 63' ' ' GLN . 1.3 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.54 -19.22 50.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.87 97.33 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.116 1.51 . . . . 0.0 109.231 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.925 1.391 . . . . 0.0 109.356 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.3 139.36 54.32 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.96 1.413 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.7 -36.92 70.71 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.435 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.45 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.758 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.482 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.578 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.491 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.578 ' H ' HD21 ' B' ' 53' ' ' ASN . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.525 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.439 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.2 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.525 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.43 -19.47 49.89 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.76 97.28 0.23 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.881 1.363 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.04 1.463 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HE3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -76.9 143.8 39.36 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.08 -35.36 74.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.013 1.446 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' CG2' ' HE2' ' A' ' 1' ' ' MET . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' A' ' 65' ' ' VAL . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 36' ' ' LEU . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.744 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 35' ' ' ARG . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.63 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.485 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.63 ' H ' HD21 ' A' ' 53' ' ' ASN . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.87 -19.11 49.05 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.47 97.18 0.25 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.331 0 O-C-N 125.019 1.449 . . . . 0.0 109.278 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.76 138.69 55.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.003 1.439 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -72.71 -36.79 67.9 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.972 1.42 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' B' ' 65' ' ' VAL . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' B' ' 36' ' ' LEU . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.752 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.752 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.478 HD13 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.561 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.561 ' H ' HD21 ' B' ' 53' ' ' ASN . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.488 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.488 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.53 -19.65 49.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.2 97.07 0.27 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.95 1.407 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.349 0 O-C-N 125.103 1.502 . . . . 0.0 109.326 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -76.83 143.69 39.58 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.987 1.429 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -69.72 -35.74 75.29 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.04 1.463 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HG ' ' H ' ' A' ' 8' ' ' SER . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 7' ' ' SER . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CD1' HD13 ' A' ' 36' ' ' LEU . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG21 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CE2' HG21 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD13 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.623 HD21 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.623 ' H ' HD21 ' A' ' 53' ' ' ASN . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.541 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 63' ' ' GLN . 1.2 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.64 -19.23 53.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.85 97.26 0.22 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.435 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.346 0.429 0 O-C-N 124.968 1.417 . . . . 0.0 109.3 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.19 139.21 54.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.925 1.391 . . . . 0.0 109.323 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.75 -36.91 70.56 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' B' ' 8' ' ' SER . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' B' ' 7' ' ' SER . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.477 ' CD1' HD13 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.493 HG21 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.755 ' HB2' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.755 ' HD3' ' HB2' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE2' HG21 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.3 OUTLIER -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.571 HD21 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.498 ' N ' HD21 ' B' ' 53' ' ' ASN . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.571 ' H ' HD21 ' B' ' 53' ' ' ASN . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.535 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.1 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.41 -19.66 52.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.62 97.25 0.24 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.945 1.403 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.384 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 60.58 -155.95 0.35 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.049 1.468 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -149.2 42.63 0.93 Allowed 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.006 1.441 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CE1' HD22 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HG ' HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CZ2' ' CD ' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.601 ' CD2' ' HG1' ' A' ' 58' ' ' THR . 57.4 m-70 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' CB ' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.737 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' CD ' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.467 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.483 HG13 ' HG ' ' A' ' 13' ' ' CYS . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.601 ' HG1' ' CD2' ' A' ' 17' ' ' HIS . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 71' ' ' GLU . 3.8 pt-20 -90.52 -0.61 57.73 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.08 -94.78 0.26 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.941 1.401 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.889 1.368 . . . . 0.0 109.302 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.318 -0.849 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 60.9 -152.76 0.38 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.069 1.481 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -146.01 40.75 1.16 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG22 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.511 HD11 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HG1' ' B' ' 58' ' ' THR . 51.2 m-70 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.511 HH21 HD11 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' B' ' 25' ' ' GLN . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.503 ' CB ' HD21 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.766 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.487 ' HA ' HH11 ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.495 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.511 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.443 HD23 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.416 ' C ' HD21 ' B' ' 53' ' ' ASN . 0.2 OUTLIER -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.624 ' HG1' ' CG ' ' B' ' 17' ' ' HIS . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.401 ' N ' HG21 ' B' ' 58' ' ' THR . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.26 -1.65 57.95 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -100.58 -94.57 0.27 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.026 1.453 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.998 1.436 . . . . 0.0 109.234 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.3 m-20 52.54 -97.67 0.06 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.02 1.45 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.93 -85.82 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.025 1.453 . . . . 0.0 109.256 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' B' ' 32' ' ' PHE . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HA ' ' HG1' ' A' ' 58' ' ' THR . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.481 ' CE2' HD12 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 58' ' ' THR . 16.7 m-70 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.7 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CD2' HG12 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD12 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HE21 ' A' ' 40' ' ' GLN . 1.0 OUTLIER -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.471 ' H ' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' HG ' ' A' ' 13' ' ' CYS . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.509 HG22 ' CE1' ' A' ' 17' ' ' HIS . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG22 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' ' HZ1' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HZ1' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -88.3 -24.01 23.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -166.15 94.25 0.55 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.011 1.444 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.92 1.388 . . . . 0.0 109.301 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' B' ' 3' ' ' SER . 82.2 m-20 51.47 -96.71 0.05 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.019 1.449 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 155.86 -86.36 0.0 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.98 1.425 . . . . 0.0 109.368 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.421 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.512 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD12 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' B' ' 58' ' ' THR . 16.2 m-70 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.481 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.468 ' CD2' HG12 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.488 HD12 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.481 HD11 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.481 ' H ' HD11 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.513 HG22 ' CE1' ' B' ' 17' ' ' HIS . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.477 HG22 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' B' ' 66' ' ' GLU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.443 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.1 mt-10 -82.75 -22.31 34.4 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -166.3 94.99 0.55 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.957 1.411 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.405 0 O-C-N 124.99 1.431 . . . . 0.0 109.317 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 61.54 -152.63 0.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.998 1.436 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -142.69 53.69 1.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.964 1.415 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' HG ' HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE2' ' NE2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HG1' ' A' ' 58' ' ' THR . 47.7 m-70 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' CB ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.86 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.86 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' CD1' HD13 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.55 HD13 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.639 ' HG1' ' CG ' ' A' ' 17' ' ' HIS . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.512 HG22 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -89.95 -0.73 57.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -92.93 -95.53 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.003 1.439 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.372 0 O-C-N 125.051 1.469 . . . . 0.0 109.319 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.13 -150.02 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.442 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -139.02 52.2 1.78 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.046 1.467 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.498 ' CE2' HG22 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.647 ' CG ' ' HG1' ' B' ' 58' ' ' THR . 47.1 m-70 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.429 HG12 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.43 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.506 ' CB ' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.882 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.882 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.545 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.491 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.538 ' CD1' HD13 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.647 ' HG1' ' CG ' ' B' ' 17' ' ' HIS . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.463 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.498 HG22 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' B' ' 71' ' ' GLU . 4.3 pt-20 -89.83 -0.67 57.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -93.22 -95.47 0.15 Allowed 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.014 1.446 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 125.044 1.465 . . . . 0.0 109.308 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 75.7 m-20 58.62 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.61 -93.7 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.986 1.429 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.493 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' N ' ' HG1' ' A' ' 58' ' ' THR . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 58' ' ' THR . 20.4 m-70 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.539 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.739 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.65 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 HD12 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.48 -20.2 40.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.85 95.09 0.69 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.343 0.316 0 O-C-N 125.049 1.468 . . . . 0.0 109.283 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.534 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.5 ' CB ' ' HB ' ' B' ' 5' ' ' THR . 76.3 m-20 58.62 -90.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.009 1.443 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.58 -93.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.998 1.436 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.5 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.44 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.65 ' N ' ' HG1' ' B' ' 58' ' ' THR . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.431 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' B' ' 58' ' ' THR . 19.2 m-70 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.424 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.739 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.739 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.65 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.438 HD12 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.68 -20.06 40.32 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.81 95.02 0.7 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.962 1.414 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.393 0 O-C-N 124.976 1.423 . . . . 0.0 109.253 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.5 m-20 61.57 -87.07 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.98 1.425 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.45 -94.29 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.522 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG1' ' A' ' 58' ' ' THR . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 58' ' ' THR . 18.6 m-70 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG3' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 HE21 ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD21 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD2' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 HE21 ' CA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.88 -19.79 40.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.19 94.86 0.74 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.956 1.41 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 125.021 1.45 . . . . 0.0 109.279 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.536 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' B' ' 3' ' ' SER . 67.8 m-20 61.26 -87.34 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.59 -93.82 0.0 OUTLIER 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.993 1.433 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.442 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.447 HG12 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.526 ' N ' ' HG1' ' B' ' 58' ' ' THR . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.46 ' HA ' HG23 ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.505 ' CE1' HG22 ' B' ' 58' ' ' THR . 19.5 m-70 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.478 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.411 ' HG3' HE21 ' B' ' 21' ' ' GLN . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.411 HE21 ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.429 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.509 ' CD2' HG12 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.478 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.475 ' CA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.526 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.85 -20.1 39.65 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.01 94.78 0.76 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.413 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.346 0.452 0 O-C-N 124.923 1.389 . . . . 0.0 109.31 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.533 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.84 -129.91 0.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -149.37 -102.35 0.07 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' HG ' ' HB3' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.458 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.696 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.542 ' CG1' HD13 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CD2' HD12 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.728 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD2' HG12 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 HD13 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.696 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.8 OUTLIER -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB3' ' HG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HZ2' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.94 -17.9 51.82 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.3 pt-20 -175.07 99.91 0.08 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.388 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.72 -130.4 0.1 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -150.38 -101.59 0.07 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.41 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.491 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD23 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.487 ' CG ' HD23 ' B' ' 43' ' ' LEU . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.648 HH22 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.445 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.539 ' CD2' HG12 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.648 ' HE ' HH22 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.493 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.487 HD23 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.491 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD23 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' HZ2' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.478 HG12 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.532 HD12 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER -79.92 -17.55 52.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.3 pt-20 -175.53 99.85 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.022 1.452 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.376 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.592 ' CE ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 3' ' ' SER . 68.9 m-20 52.14 -107.03 0.3 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.979 1.424 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 161.1 -91.63 0.0 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.019 1.449 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HG ' HG21 ' A' ' 54' ' ' ILE . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' N ' ' HG1' ' A' ' 58' ' ' THR . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' A' ' 58' ' ' THR . 21.0 m-70 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.608 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.491 ' CG2' HD22 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD22 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.777 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.777 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.608 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.2 OUTLIER -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.592 ' CD2' ' CE ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.488 HD12 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' H ' ' HB2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG21 ' HG ' ' A' ' 13' ' ' CYS . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.63 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HA ' ' HZ1' ' A' ' 70' ' ' LYS . 1.2 mt-10 -79.92 -23.18 41.94 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -167.56 96.05 0.46 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.38 0 O-C-N 124.989 1.431 . . . . 0.0 109.282 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.527 ' HE2' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.512 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 53.87 -111.25 0.6 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER 164.76 -90.9 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.967 1.417 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 3' ' ' SER . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.541 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.49 ' HG ' HG21 ' B' ' 54' ' ' ILE . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.631 ' N ' ' HG1' ' B' ' 58' ' ' THR . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.435 ' HA ' HG23 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' B' ' 58' ' ' THR . 21.0 m-70 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.638 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.443 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.638 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.477 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.2 OUTLIER -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.527 ' CD2' ' HE2' ' B' ' 1' ' ' MET . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.49 HG21 ' HG ' ' B' ' 13' ' ' CYS . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.631 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . 0.541 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD22 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.433 HD22 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.422 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 -80.12 -22.79 41.74 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -167.46 95.85 0.46 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 12.0 m-20 67.54 -76.15 0.06 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 0.0 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.96 -64.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.004 1.44 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' N ' ' HG1' ' A' ' 58' ' ' THR . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CE1' HG22 ' A' ' 58' ' ' THR . 20.3 m-70 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.699 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.699 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.64 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.44 -20.4 40.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.0 94.99 0.68 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.903 1.377 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.956 1.41 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.418 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' B' ' 3' ' ' SER . 80.6 m-20 59.38 -91.63 0.03 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.956 1.41 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 155.7 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.966 1.416 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.508 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.507 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.657 ' N ' ' HG1' ' B' ' 58' ' ' THR . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.429 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.425 ' CE2' HD12 ' B' ' 36' ' ' LEU . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' B' ' 58' ' ' THR . 20.4 m-70 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.425 HD12 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.657 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -20.48 40.17 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.84 95.1 0.7 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.982 1.426 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--N 1.345 0.408 0 O-C-N 124.961 1.413 . . . . 0.0 109.295 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 3' ' ' SER . 68.8 m-20 60.04 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.016 1.448 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 153.68 -95.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.014 1.446 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' CZ ' ' B' ' 32' ' ' PHE . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.61 ' N ' ' HG1' ' A' ' 58' ' ' THR . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CG ' HD23 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' A' ' 58' ' ' THR . 22.3 m-70 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.599 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 36' ' ' LEU . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.743 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.743 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.88 -19.81 40.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.51 94.86 0.72 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.935 1.397 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 124.964 1.415 . . . . 0.0 109.285 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.534 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' B' ' 3' ' ' SER . 69.7 m-20 60.24 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.235 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 1.0 OUTLIER 153.89 -94.83 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.5 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.618 ' N ' ' HG1' ' B' ' 58' ' ' THR . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.444 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.406 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.507 ' CE1' HG22 ' B' ' 58' ' ' THR . 22.9 m-70 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.694 HE21 ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.763 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.763 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD23 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.68 -19.83 40.79 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.28 94.91 0.74 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.989 1.431 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.6 m-20 59.02 -94.51 0.05 OUTLIER 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.983 1.427 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 156.81 -90.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.936 1.398 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' N ' ' HG1' ' A' ' 58' ' ' THR . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' A' ' 58' ' ' THR . 21.3 m-70 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.523 ' CB ' HD21 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' C ' ' HZ1' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 -81.3 -23.05 38.13 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.46 95.8 0.46 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.085 1.491 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.385 0 O-C-N 124.985 1.428 . . . . 0.0 109.31 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' B' ' 3' ' ' SER . 76.9 m-20 49.8 -101.88 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.999 1.437 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 158.88 -93.33 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.95 1.406 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.478 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.645 ' N ' ' HG1' ' B' ' 58' ' ' THR . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.503 ' CE1' HG22 ' B' ' 58' ' ' THR . 20.9 m-70 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.507 ' CB ' HD21 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.408 ' HD2' HH11 ' B' ' 35' ' ' ARG . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.476 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.431 ' C ' ' HZ1' ' B' ' 70' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.1 mt-10 -81.22 -22.97 38.4 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.01 95.44 0.49 Allowed 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.92 1.387 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.006 1.441 . . . . 0.0 109.323 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.13 -129.77 0.12 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.045 1.466 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -149.25 -102.78 0.08 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.988 1.43 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' HG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HG ' ' HA ' ' A' ' 10' ' ' GLN . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.492 ' CZ ' HG12 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD23 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.631 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' CD2' ' NE ' ' A' ' 37' ' ' ARG . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' CD2' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ2' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.79 -18.84 50.0 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.1 pt-20 -174.44 99.88 0.09 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.946 1.404 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.02 -130.89 0.11 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -151.82 -101.43 0.06 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.47 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.482 ' HA ' ' HG ' ' B' ' 13' ' ' CYS . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.482 ' HG ' ' HA ' ' B' ' 10' ' ' GLN . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.53 HD23 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.466 ' CG ' HD23 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' B' ' 15' ' ' LEU . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.621 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.432 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.53 HG12 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.614 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.53 ' CD2' HG12 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.538 HD13 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.621 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.434 ' CZ ' HD22 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.481 ' HZ2' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.454 HG22 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER -79.76 -18.28 51.45 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.0 pt-20 -175.01 99.87 0.08 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.344 0.352 0 O-C-N 125.051 1.469 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' SER . 19.2 m-20 65.67 -79.32 0.03 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.079 1.487 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.9 -53.63 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.9 1.375 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.514 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' HG1' ' A' ' 58' ' ' THR . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 58' ' ' THR . 22.8 m-70 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.726 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HG1' ' N ' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.63 -20.45 36.3 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.87 94.88 0.69 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.454 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.977 1.423 . . . . 0.0 109.315 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 3' ' ' SER . 44.2 m-20 63.48 -82.94 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.457 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 156.22 -59.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.929 1.393 . . . . 0.0 109.354 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.485 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.61 ' N ' ' HG1' ' B' ' 58' ' ' THR . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' B' ' 58' ' ' THR . 21.8 m-70 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.533 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.733 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.494 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.53 -20.7 36.15 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.45 94.71 0.72 Allowed 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.931 1.394 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.989 1.431 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' HG23 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.555 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 14' ' ' PHE . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.517 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.557 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.513 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.513 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 14' ' ' PHE . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.514 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.531 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.454 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.471 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.471 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.454 HG23 ' HA ' ' B' ' 14' ' ' PHE . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.574 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.476 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.574 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 14' ' ' PHE . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.518 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.24 0.595 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.536 HG23 ' HA ' ' B' ' 14' ' ' PHE . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.24 0.597 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.537 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.465 ' CD1' HD12 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.424 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.435 HG23 ' HA ' ' B' ' 14' ' ' PHE . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.533 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.533 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.542 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 58' ' ' THR . 64.2 m80 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.776 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.776 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.542 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.7 tp-100 -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.811 ' O ' HG22 ' A' ' 58' ' ' THR . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.859 HG21 ' CE1' ' A' ' 17' ' ' HIS . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 3.8 pt-20 . . . . . 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD13 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' B' ' 58' ' ' THR . 61.5 m80 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.521 HH21 HD13 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 27' ' ' LEU . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.78 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.78 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.496 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.511 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 2.7 tp-100 -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.806 ' O ' HG22 ' B' ' 58' ' ' THR . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.944 HG21 ' CE1' ' B' ' 17' ' ' HIS . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.706 HG23 ' OD2' ' B' ' 29' ' ' ASP . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' CA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CE2' HG21 ' A' ' 65' ' ' VAL . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' A' ' 58' ' ' THR . 25.8 m80 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.705 ' OD2' HG23 ' B' ' 5' ' ' THR . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 49' ' ' THR . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 52' ' ' LEU . 1.8 t-20 -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.789 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.793 HG21 ' CE1' ' A' ' 17' ' ' HIS . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.617 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.705 HG23 ' OD2' ' A' ' 29' ' ' ASP . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.532 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.733 ' CE1' HG21 ' B' ' 58' ' ' THR . 25.2 m80 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 22' ' ' VAL . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 5' ' ' THR . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CD2' HG11 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' B' ' 49' ' ' THR . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.476 HD13 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.476 ' H ' HD13 ' B' ' 52' ' ' LEU . 1.7 t-20 -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.765 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 55' ' ' GLU . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.483 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE2' HG21 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.594 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.827 ' CE1' HG21 ' A' ' 58' ' ' THR . 60.8 m80 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.885 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.885 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.594 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.7 tp-100 -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.816 ' O ' HG22 ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 17' ' ' HIS . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG21 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.609 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.846 ' CE1' HG21 ' B' ' 58' ' ' THR . 60.3 m80 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.544 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.429 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.497 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.892 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.609 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.7 tp-100 -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.817 ' O ' HG22 ' B' ' 58' ' ' THR . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.846 HG21 ' CE1' ' B' ' 17' ' ' HIS . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 65' ' ' VAL . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.823 ' CE1' HG21 ' A' ' 58' ' ' THR . 32.3 m80 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CA ' ' HE1' ' A' ' 16' ' ' TRP . 3.2 tp-100 -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.823 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.432 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' B' ' 3' ' ' SER . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.455 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.516 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' B' ' 65' ' ' VAL . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.794 ' CE1' HG21 ' B' ' 58' ' ' THR . 30.5 m80 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.764 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.764 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.409 ' CA ' ' HE1' ' B' ' 16' ' ' TRP . 3.2 tp-100 -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.794 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.761 ' CE1' HG21 ' A' ' 58' ' ' THR . 30.9 m80 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CB ' HD23 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.629 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.761 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.422 ' HG ' HD12 ' A' ' 27' ' ' LEU . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.458 ' CD2' HG21 ' B' ' 65' ' ' VAL . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 58' ' ' THR . 32.1 m80 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.477 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.65 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.793 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.695 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD2' HD11 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.738 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.695 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CH2' ' HD2' ' B' ' 20' ' ' LYS . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.659 HH12 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.659 ' HE ' HH12 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.517 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.528 ' CD1' HD22 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 55' ' ' GLU . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.538 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.602 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.491 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.829 ' CE1' HG21 ' A' ' 58' ' ' THR . 33.6 m80 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.8 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.8 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' ARG . 2.9 tp-100 -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.5 t-20 -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 6' ' ' VAL . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.539 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' HG22 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.842 ' CE1' HG21 ' B' ' 58' ' ' THR . 33.8 m80 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.767 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.767 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' B' ' 44' ' ' ARG . 2.9 tp-100 -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 1.7 t-20 -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' B' ' 54' ' ' ILE . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.842 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.808 ' CE1' HG21 ' A' ' 58' ' ' THR . 33.1 m80 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.507 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.518 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' B' ' 62' ' ' LYS . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.432 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.82 ' CE1' HG21 ' B' ' 58' ' ' THR . 33.6 m80 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.402 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.402 ' CD2' HG11 ' B' ' 22' ' ' VAL . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.432 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 3.1 tp-100 -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.4 HD22 ' HG ' ' B' ' 52' ' ' LEU . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' B' ' 50' ' ' LEU . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.637 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.82 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 3' ' ' SER . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.522 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CD2' HG21 ' A' ' 65' ' ' VAL . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CG ' HD22 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.775 ' CE1' HG21 ' A' ' 58' ' ' THR . 37.1 m80 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 23' ' ' VAL . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.75 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.775 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 1.3 mt-10 . . . . . 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.43 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.547 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 3' ' ' SER . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' B' ' 65' ' ' VAL . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CG ' HD22 ' B' ' 43' ' ' LEU . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.821 ' CE1' HG21 ' B' ' 58' ' ' THR . 38.0 m80 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.782 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.782 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.425 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.821 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HZ1' ' HA ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.443 ' HA ' ' HZ1' ' B' ' 70' ' ' LYS . 1.6 mt-10 . . . . . 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' OD1' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.823 ' CE1' HG21 ' A' ' 58' ' ' THR . 35.6 m80 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' CB ' HD23 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.555 ' OD1' HG23 ' B' ' 5' ' ' THR . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.823 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 . . . . . 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' OD1' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.479 HG11 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.832 ' CE1' HG21 ' B' ' 58' ' ' THR . 35.0 m80 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.526 HG22 ' N ' ' B' ' 50' ' ' LEU . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.526 ' N ' HG22 ' B' ' 49' ' ' THR . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.832 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.241 0.616 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.822 HG23 ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 14' ' ' PHE . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.835 ' OD2' HG23 ' B' ' 5' ' ' THR . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ3' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.835 HG23 ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.486 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' B' ' 14' ' ' PHE . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.46 ' CG ' HD22 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.599 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.54 ' CG1' HD12 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.822 ' OD2' HG23 ' A' ' 5' ' ' THR . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' HG11 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.54 HD12 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.599 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.441 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 65' ' ' VAL . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.833 ' CE1' HG21 ' A' ' 58' ' ' THR . 37.7 m80 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.833 HG21 ' CE1' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' B' ' 65' ' ' VAL . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.803 ' CE1' HG21 ' B' ' 58' ' ' THR . 36.4 m80 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.747 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.747 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.484 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.419 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.622 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.803 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.03 143.56 39.26 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.0 1.437 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -70.29 -35.5 73.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' HG23 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.555 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 14' ' ' PHE . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.517 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.21 -19.38 50.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.27 97.08 0.26 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.975 1.422 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.944 1.403 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.01 138.48 54.53 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.013 1.446 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -72.9 -36.61 67.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.513 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.513 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 14' ' ' PHE . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.84 -19.86 51.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.02 97.02 0.28 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.018 1.449 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.987 1.429 . . . . 0.0 109.278 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -76.85 143.73 39.52 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.994 1.434 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.14 -35.57 74.15 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.041 1.463 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.514 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.531 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.54 -19.22 50.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.87 97.33 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.116 1.51 . . . . 0.0 109.231 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.925 1.391 . . . . 0.0 109.356 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.3 139.36 54.32 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.96 1.413 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.7 -36.92 70.71 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.435 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.454 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.471 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.471 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.454 HG23 ' HA ' ' B' ' 14' ' ' PHE . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.43 -19.47 49.89 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.76 97.28 0.23 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.881 1.363 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.04 1.463 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -76.9 143.8 39.36 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.08 -35.36 74.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.013 1.446 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.574 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.476 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.574 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 14' ' ' PHE . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.87 -19.11 49.05 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.47 97.18 0.25 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.331 0 O-C-N 125.019 1.449 . . . . 0.0 109.278 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.76 138.69 55.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.003 1.439 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -72.71 -36.79 67.9 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.972 1.42 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.536 HG23 ' HA ' ' B' ' 14' ' ' PHE . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.53 -19.65 49.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.2 97.07 0.27 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.95 1.407 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.349 0 O-C-N 125.103 1.502 . . . . 0.0 109.326 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -76.83 143.69 39.58 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.987 1.429 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -69.72 -35.74 75.29 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.04 1.463 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.9 tp-100 -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.537 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.64 -19.23 53.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.85 97.26 0.22 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.435 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.346 0.429 0 O-C-N 124.968 1.417 . . . . 0.0 109.3 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.19 139.21 54.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.925 1.391 . . . . 0.0 109.323 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.75 -36.91 70.56 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.465 ' CD1' HD12 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.424 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.9 tp-100 -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.435 HG23 ' HA ' ' B' ' 14' ' ' PHE . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.533 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.533 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.41 -19.66 52.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.62 97.25 0.24 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.945 1.403 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.384 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 60.58 -155.95 0.35 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.049 1.468 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -149.2 42.63 0.93 Allowed 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.006 1.441 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.542 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.859 ' CE1' HG21 ' A' ' 58' ' ' THR . 64.2 m80 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.776 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.776 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.542 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.7 tp-100 -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.811 ' O ' HG22 ' A' ' 58' ' ' THR . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.859 HG21 ' CE1' ' A' ' 17' ' ' HIS . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 3.8 pt-20 -90.52 -0.61 57.73 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.08 -94.78 0.26 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.941 1.401 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.889 1.368 . . . . 0.0 109.302 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.318 -0.849 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 60.9 -152.76 0.38 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.069 1.481 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -146.01 40.75 1.16 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD13 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' B' ' 58' ' ' THR . 61.5 m80 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.521 HH21 HD13 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 27' ' ' LEU . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.78 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.78 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.496 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.511 ' CD ' ' CZ2' ' B' ' 16' ' ' TRP . 2.7 tp-100 -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.806 ' O ' HG22 ' B' ' 58' ' ' THR . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.944 HG21 ' CE1' ' B' ' 17' ' ' HIS . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.26 -1.65 57.95 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -100.58 -94.57 0.27 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.026 1.453 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.998 1.436 . . . . 0.0 109.234 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.3 m-20 52.54 -97.67 0.06 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.02 1.45 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.93 -85.82 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.025 1.453 . . . . 0.0 109.256 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.706 HG23 ' OD2' ' B' ' 29' ' ' ASP . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' CA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CE2' HG21 ' A' ' 65' ' ' VAL . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' A' ' 58' ' ' THR . 25.8 m80 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.705 ' OD2' HG23 ' B' ' 5' ' ' THR . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 49' ' ' THR . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 52' ' ' LEU . 1.8 t-20 -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.789 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.793 HG21 ' CE1' ' A' ' 17' ' ' HIS . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.3 -24.01 23.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -166.15 94.25 0.55 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.011 1.444 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.92 1.388 . . . . 0.0 109.301 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' B' ' 3' ' ' SER . 82.2 m-20 51.47 -96.71 0.05 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.019 1.449 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 155.86 -86.36 0.0 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.98 1.425 . . . . 0.0 109.368 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.705 HG23 ' OD2' ' A' ' 29' ' ' ASP . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.532 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.733 ' CE1' HG21 ' B' ' 58' ' ' THR . 25.2 m80 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 22' ' ' VAL . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 5' ' ' THR . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CD2' HG11 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' B' ' 49' ' ' THR . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.476 HD13 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.476 ' H ' HD13 ' B' ' 52' ' ' LEU . 1.7 t-20 -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.765 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 55' ' ' GLU . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.483 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -22.31 34.4 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -166.3 94.99 0.55 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.957 1.411 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.405 0 O-C-N 124.99 1.431 . . . . 0.0 109.317 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 61.54 -152.63 0.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.998 1.436 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -142.69 53.69 1.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.964 1.415 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE2' HG21 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.594 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.827 ' CE1' HG21 ' A' ' 58' ' ' THR . 60.8 m80 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.885 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.885 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.594 ' NE2' ' CZ2' ' A' ' 16' ' ' TRP . 2.7 tp-100 -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.816 ' O ' HG22 ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 17' ' ' HIS . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG21 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -89.95 -0.73 57.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -92.93 -95.53 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.003 1.439 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.372 0 O-C-N 125.051 1.469 . . . . 0.0 109.319 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.13 -150.02 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.442 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -139.02 52.2 1.78 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.046 1.467 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.609 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.846 ' CE1' HG21 ' B' ' 58' ' ' THR . 60.3 m80 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.544 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.429 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.497 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.892 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.609 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 2.7 tp-100 -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.817 ' O ' HG22 ' B' ' 58' ' ' THR . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.846 HG21 ' CE1' ' B' ' 17' ' ' HIS . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -89.83 -0.67 57.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -93.22 -95.47 0.15 Allowed 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.014 1.446 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 125.044 1.465 . . . . 0.0 109.308 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 75.7 m-20 58.62 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.61 -93.7 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.986 1.429 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 65' ' ' VAL . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.823 ' CE1' HG21 ' A' ' 58' ' ' THR . 32.3 m80 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' NE2' ' OE1' ' B' ' 72' ' ' GLU . 2.2 tp60 -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CA ' ' HE1' ' A' ' 16' ' ' TRP . 3.2 tp-100 -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.823 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.48 -20.2 40.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' B' ' 21' ' ' GLN . 0.6 OUTLIER -164.85 95.09 0.69 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.343 0.316 0 O-C-N 125.049 1.468 . . . . 0.0 109.283 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.537 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' B' ' 3' ' ' SER . 76.3 m-20 58.62 -90.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.009 1.443 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.58 -93.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.998 1.436 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.455 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.516 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' B' ' 65' ' ' VAL . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.794 ' CE1' HG21 ' B' ' 58' ' ' THR . 30.5 m80 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.402 ' NE2' ' OE1' ' A' ' 72' ' ' GLU . 2.2 tp60 -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.764 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.764 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.409 ' CA ' ' HE1' ' B' ' 16' ' ' TRP . 3.2 tp-100 -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.794 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.68 -20.06 40.32 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.405 ' OE1' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -164.81 95.02 0.7 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.962 1.414 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.393 0 O-C-N 124.976 1.423 . . . . 0.0 109.253 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.5 m-20 61.57 -87.07 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.98 1.425 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.45 -94.29 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.761 ' CE1' HG21 ' A' ' 58' ' ' THR . 30.9 m80 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CB ' HD23 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.629 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.761 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.88 -19.79 40.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.19 94.86 0.74 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.956 1.41 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 125.021 1.45 . . . . 0.0 109.279 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.539 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' B' ' 3' ' ' SER . 67.8 m-20 61.26 -87.34 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.59 -93.82 0.0 OUTLIER 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.993 1.433 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.422 ' HG ' HD12 ' A' ' 27' ' ' LEU . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.458 ' CD2' HG21 ' B' ' 65' ' ' VAL . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 58' ' ' THR . 32.1 m80 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.413 ' HG3' HE21 ' B' ' 21' ' ' GLN . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.413 HE21 ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.477 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.65 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.793 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.85 -20.1 39.65 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.01 94.78 0.76 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.413 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.346 0.452 0 O-C-N 124.923 1.389 . . . . 0.0 109.31 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.533 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.84 -129.91 0.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -149.37 -102.35 0.07 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.695 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD2' HD11 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.738 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.695 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.94 -17.9 51.82 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.3 pt-20 -175.07 99.91 0.08 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.388 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.72 -130.4 0.1 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -150.38 -101.59 0.07 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.41 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CH2' ' HD2' ' B' ' 20' ' ' LYS . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.659 HH12 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.659 ' HE ' HH12 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.517 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.528 ' CD1' HD22 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 55' ' ' GLU . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.538 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER -79.92 -17.55 52.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.3 pt-20 -175.53 99.85 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.022 1.452 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.376 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.592 ' CE ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 3' ' ' SER . 68.9 m-20 52.14 -107.03 0.3 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.979 1.424 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 161.1 -91.63 0.0 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.019 1.449 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.491 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.829 ' CE1' HG21 ' A' ' 58' ' ' THR . 33.6 m80 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' NE2' ' OE2' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.8 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.8 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' ARG . 2.9 tp-100 -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.592 ' CD2' ' CE ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.5 t-20 -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.2 mt-10 -79.92 -23.18 41.94 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' OE2' ' NE2' ' B' ' 21' ' ' GLN . 4.6 pt-20 -167.56 96.05 0.46 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.38 0 O-C-N 124.989 1.431 . . . . 0.0 109.282 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.512 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 53.87 -111.25 0.6 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER 164.76 -90.9 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.967 1.417 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 6' ' ' VAL . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.539 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' HG22 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.842 ' CE1' HG21 ' B' ' 58' ' ' THR . 33.8 m80 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.767 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.767 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' B' ' 44' ' ' ARG . 2.9 tp-100 -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.4 ' CD2' ' CE ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 1.7 t-20 -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' B' ' 54' ' ' ILE . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.842 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 -80.12 -22.79 41.74 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.405 ' OE2' ' NE2' ' A' ' 21' ' ' GLN . 4.7 pt-20 -167.46 95.85 0.46 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 12.0 m-20 67.54 -76.15 0.06 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 0.0 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.96 -64.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.004 1.44 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.808 ' CE1' HG21 ' A' ' 58' ' ' THR . 33.1 m80 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' NE2' ' OE1' ' B' ' 72' ' ' GLU . 1.1 tp60 -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.44 -20.4 40.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' OE1' ' NE2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -165.0 94.99 0.68 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.903 1.377 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.956 1.41 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' B' ' 3' ' ' SER . 80.6 m-20 59.38 -91.63 0.03 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.956 1.41 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 155.7 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.966 1.416 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.518 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' B' ' 62' ' ' LYS . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.432 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.82 ' CE1' HG21 ' B' ' 58' ' ' THR . 33.6 m80 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.409 ' NE2' ' OE1' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.402 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.402 ' CD2' HG11 ' B' ' 22' ' ' VAL . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.432 ' NE2' ' CZ2' ' B' ' 16' ' ' TRP . 3.1 tp-100 -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.4 HD22 ' HG ' ' B' ' 52' ' ' LEU . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' B' ' 50' ' ' LEU . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.637 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.82 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -20.48 40.17 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.41 ' OE1' ' NE2' ' A' ' 21' ' ' GLN . 0.7 OUTLIER -164.84 95.1 0.7 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.982 1.426 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--N 1.345 0.408 0 O-C-N 124.961 1.413 . . . . 0.0 109.295 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 3' ' ' SER . 68.8 m-20 60.04 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.016 1.448 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 153.68 -95.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.014 1.446 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.522 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CD2' HG21 ' A' ' 65' ' ' VAL . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CG ' HD22 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.775 ' CE1' HG21 ' A' ' 58' ' ' THR . 37.1 m80 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' NE2' ' OE1' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 23' ' ' VAL . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.75 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.775 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 1.3 mt-10 -81.88 -19.81 40.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.51 94.86 0.72 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.935 1.397 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 124.964 1.415 . . . . 0.0 109.285 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.537 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' B' ' 3' ' ' SER . 69.7 m-20 60.24 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.235 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 1.0 OUTLIER 153.89 -94.83 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' B' ' 65' ' ' VAL . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CG ' HD22 ' B' ' 43' ' ' LEU . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.821 ' CE1' HG21 ' B' ' 58' ' ' THR . 38.0 m80 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.782 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.782 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.425 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.821 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HZ1' ' HA ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.443 ' HA ' ' HZ1' ' B' ' 70' ' ' LYS . 1.6 mt-10 -81.68 -19.83 40.79 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.404 ' OE1' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -164.28 94.91 0.74 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.989 1.431 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.6 m-20 59.02 -94.51 0.05 OUTLIER 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.983 1.427 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 156.81 -90.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.936 1.398 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' OD1' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.823 ' CE1' HG21 ' A' ' 58' ' ' THR . 35.6 m80 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' CB ' HD23 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.555 ' OD1' HG23 ' B' ' 5' ' ' THR . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.823 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 -81.3 -23.05 38.13 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.46 95.8 0.46 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.085 1.491 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.385 0 O-C-N 124.985 1.428 . . . . 0.0 109.31 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' B' ' 3' ' ' SER . 76.9 m-20 49.8 -101.88 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.999 1.437 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 158.88 -93.33 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.95 1.406 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' OD1' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.479 HG11 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.832 ' CE1' HG21 ' B' ' 58' ' ' THR . 35.0 m80 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.526 HG22 ' N ' ' B' ' 50' ' ' LEU . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.526 ' N ' HG22 ' B' ' 49' ' ' THR . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.832 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.22 -22.97 38.4 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.01 95.44 0.49 Allowed 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.92 1.387 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.006 1.441 . . . . 0.0 109.323 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.13 -129.77 0.12 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.045 1.466 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -149.25 -102.78 0.08 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.988 1.43 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.822 HG23 ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 14' ' ' PHE . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.835 ' OD2' HG23 ' B' ' 5' ' ' THR . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ3' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.79 -18.84 50.0 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.1 pt-20 -174.44 99.88 0.09 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.946 1.404 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.02 -130.89 0.11 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -151.82 -101.43 0.06 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.835 HG23 ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.486 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' B' ' 14' ' ' PHE . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.46 ' CG ' HD22 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.599 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.54 ' CG1' HD12 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.822 ' OD2' HG23 ' A' ' 5' ' ' THR . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' HG11 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.54 HD12 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.599 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.441 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER -79.76 -18.28 51.45 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.0 pt-20 -175.01 99.87 0.08 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.344 0.352 0 O-C-N 125.051 1.469 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' SER . 19.2 m-20 65.67 -79.32 0.03 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.079 1.487 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.9 -53.63 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.9 1.375 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 65' ' ' VAL . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.833 ' CE1' HG21 ' A' ' 58' ' ' THR . 37.7 m80 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' NE2' ' CD ' ' B' ' 72' ' ' GLU . 1.6 tp60 -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.833 HG21 ' CE1' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.63 -20.45 36.3 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' CD ' ' NE2' ' B' ' 21' ' ' GLN . 1.0 OUTLIER -164.87 94.88 0.69 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.454 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.977 1.423 . . . . 0.0 109.315 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 3' ' ' SER . 44.2 m-20 63.48 -82.94 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.457 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 156.22 -59.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.929 1.393 . . . . 0.0 109.354 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' B' ' 65' ' ' VAL . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.803 ' CE1' HG21 ' B' ' 58' ' ' THR . 36.4 m80 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' CD ' ' A' ' 72' ' ' GLU . 1.5 tp60 -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.747 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.747 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.484 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.419 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.622 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.803 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.53 -20.7 36.15 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' CD ' ' NE2' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -164.45 94.71 0.72 Allowed 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.931 1.394 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.989 1.431 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.45 ' CD1' HD12 ' A' ' 36' ' ' LEU . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' HG23 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.612 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.612 ' H ' HD22 ' A' ' 53' ' ' ASN . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 14' ' ' PHE . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.517 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.557 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.5 OUTLIER -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.544 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.544 ' H ' HD22 ' B' ' 53' ' ' ASN . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 14' ' ' PHE . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.42 ' CD1' HD12 ' A' ' 36' ' ' LEU . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.605 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.605 ' H ' HD22 ' A' ' 53' ' ' ASN . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.531 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.454 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.439 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.564 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.491 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.564 ' H ' HD22 ' B' ' 53' ' ' ASN . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.454 HG23 ' HA ' ' B' ' 14' ' ' PHE . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.2 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CD1' HD12 ' A' ' 36' ' ' LEU . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.476 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.615 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.484 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.615 ' H ' HD22 ' A' ' 53' ' ' ASN . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 14' ' ' PHE . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.518 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.24 0.595 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.468 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.519 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.548 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.548 ' H ' HD22 ' B' ' 53' ' ' ASN . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.536 HG23 ' HA ' ' B' ' 14' ' ' PHE . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.24 0.597 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.437 ' CD1' HD12 ' A' ' 36' ' ' LEU . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.606 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.606 ' H ' HD22 ' A' ' 53' ' ' ASN . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.537 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 63' ' ' GLN . 1.2 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.465 ' CD1' HD12 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.3 OUTLIER -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.558 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.498 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.558 ' H ' HD22 ' B' ' 53' ' ' ASN . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.435 HG23 ' HA ' ' B' ' 14' ' ' PHE . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.533 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.1 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.533 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CZ2' ' CD ' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.665 ' NE2' HG21 ' A' ' 58' ' ' THR . 57.4 m-70 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.776 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.776 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.466 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.811 ' O ' HG22 ' A' ' 58' ' ' THR . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 55' ' ' GLU . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 3.8 pt-20 . . . . . 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD13 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.783 ' CE1' HG21 ' B' ' 58' ' ' THR . 51.2 m-70 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.521 HH21 HD13 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 27' ' ' LEU . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.78 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.78 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.496 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.527 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.417 HD22 ' C ' ' B' ' 53' ' ' ASN . 0.2 OUTLIER -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.806 ' O ' HG22 ' B' ' 58' ' ' THR . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.806 HG22 ' O ' ' B' ' 55' ' ' GLU . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.706 HG23 ' OD2' ' B' ' 29' ' ' ASP . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' CA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CE2' HG21 ' A' ' 65' ' ' VAL . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CE1' HG21 ' A' ' 58' ' ' THR . 16.7 m-70 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.705 ' OD2' HG23 ' B' ' 5' ' ' THR . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' A' ' 40' ' ' GLN . 1.0 OUTLIER -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 49' ' ' THR . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.789 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 55' ' ' GLU . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.617 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.705 HG23 ' OD2' ' A' ' 29' ' ' ASP . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.532 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.701 ' CE1' HG21 ' B' ' 58' ' ' THR . 16.2 m-70 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 22' ' ' VAL . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 5' ' ' THR . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CD2' HG11 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HA ' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' B' ' 49' ' ' THR . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.476 HD13 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.476 ' H ' HD13 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.765 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 55' ' ' GLU . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.483 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE2' HG21 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HE1' ' HB2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' HG21 ' A' ' 58' ' ' THR . 47.7 m-70 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.885 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.885 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.816 ' O ' HG22 ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 55' ' ' GLU . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG21 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.525 ' HE1' ' HB2' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.703 ' CE1' HG21 ' B' ' 58' ' ' THR . 47.1 m-70 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.544 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.429 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.497 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.892 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.525 ' HB2' ' HE1' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.817 ' O ' HG22 ' B' ' 58' ' ' THR . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.817 HG22 ' O ' ' B' ' 55' ' ' GLU . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.59 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 65' ' ' VAL . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.705 ' CE1' HG21 ' A' ' 58' ' ' THR . 20.4 m-70 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.705 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.432 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' B' ' 3' ' ' SER . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.455 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.516 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' B' ' 65' ' ' VAL . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.732 ' CE1' HG21 ' B' ' 58' ' ' THR . 19.2 m-70 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.764 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.764 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.532 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.732 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.76 ' CE1' HG21 ' A' ' 58' ' ' THR . 18.6 m-70 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG3' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 HE21 ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CB ' HD23 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.483 HE21 ' CA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.629 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.76 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.422 ' HG ' HD12 ' A' ' 27' ' ' LEU . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.458 ' CD2' HG21 ' B' ' 65' ' ' VAL . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.81 ' CE1' HG21 ' B' ' 58' ' ' THR . 19.5 m-70 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.413 ' HG3' HE21 ' B' ' 21' ' ' GLN . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.413 HE21 ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.477 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.484 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.65 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.81 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.695 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD2' HD11 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.738 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.695 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.8 OUTLIER -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CH2' ' HD2' ' B' ' 20' ' ' LYS . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.659 HH12 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.659 ' HE ' HH12 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.517 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.528 ' CD1' HD22 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 55' ' ' GLU . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.538 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.602 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.491 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.748 ' CE1' HG21 ' A' ' 58' ' ' THR . 21.0 m-70 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.8 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.8 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.2 OUTLIER -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.748 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.525 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 6' ' ' VAL . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.539 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' HG22 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.767 ' CE1' HG21 ' B' ' 58' ' ' THR . 21.0 m-70 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.767 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.767 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.2 OUTLIER -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' B' ' 54' ' ' ILE . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.767 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 . . . . . 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.55 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.673 ' CE1' HG21 ' A' ' 58' ' ' THR . 20.3 m-70 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.507 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.518 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' B' ' 62' ' ' LYS . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' B' ' 36' ' ' LEU . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.707 ' CE1' HG21 ' B' ' 58' ' ' THR . 20.4 m-70 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.402 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.402 ' CD2' HG11 ' B' ' 22' ' ' VAL . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.537 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.4 HD22 ' HG ' ' B' ' 52' ' ' LEU . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' B' ' 50' ' ' LEU . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.637 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.707 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 3' ' ' SER . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.522 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CD2' HG21 ' A' ' 65' ' ' VAL . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CG ' HD22 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.75 ' CE1' HG21 ' A' ' 58' ' ' THR . 22.3 m-70 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.599 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 23' ' ' VAL . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.75 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.75 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 1.3 mt-10 . . . . . 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.43 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.547 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 3' ' ' SER . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' B' ' 65' ' ' VAL . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.406 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' B' ' 58' ' ' THR . 22.9 m-70 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.693 HE21 ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.782 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.782 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.425 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.765 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HZ1' ' HA ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.443 ' HA ' ' HZ1' ' B' ' 70' ' ' LYS . 1.6 mt-10 . . . . . 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' OD1' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.755 ' CE1' HG21 ' A' ' 58' ' ' THR . 21.3 m-70 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 8.4 tp60 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' CB ' HD23 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.555 ' OD1' HG23 ' B' ' 5' ' ' THR . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.755 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 . . . . . 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' OD1' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.479 HG11 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.753 ' CE1' HG21 ' B' ' 58' ' ' THR . 20.9 m-70 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' B' ' 21' ' ' GLN . 7.9 tp60 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.526 HG22 ' N ' ' B' ' 50' ' ' LEU . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.526 ' N ' HG22 ' B' ' 49' ' ' THR . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.753 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.241 0.616 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.822 HG23 ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 14' ' ' PHE . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.835 ' OD2' HG23 ' B' ' 5' ' ' THR . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.511 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ3' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.835 HG23 ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.486 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' B' ' 14' ' ' PHE . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.46 ' CG ' HD22 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.599 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.54 ' CG1' HD12 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.822 ' OD2' HG23 ' A' ' 5' ' ' THR . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' HG11 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.54 HD12 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.599 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.441 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 65' ' ' VAL . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.714 ' CE1' HG21 ' A' ' 58' ' ' THR . 22.8 m-70 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.714 HG21 ' CE1' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' B' ' 65' ' ' VAL . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.742 ' CE1' HG21 ' B' ' 58' ' ' THR . 21.8 m-70 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.747 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.747 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.484 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.419 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.622 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.742 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.03 143.56 39.26 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.0 1.437 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -70.29 -35.5 73.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.26 -33.71 29.6 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.0 -38.99 89.91 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.014 1.446 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.47 -45.7 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.994 1.434 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -61.5 -50.61 72.04 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.936 1.398 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -55.45 -36.49 66.61 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.979 1.425 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 8.2 t80 -66.71 -51.53 54.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.974 1.421 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -40.45 60.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.74 -54.46 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -54.32 -36.13 63.41 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.5 m -61.94 -57.88 10.04 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.5 t80 -55.48 -42.33 74.24 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.971 1.419 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.72 -50.19 74.8 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.44 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.45 ' CD1' HD12 ' A' ' 36' ' ' LEU . 61.0 t90 -53.16 -39.81 63.84 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.013 1.446 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -61.25 -61.14 2.77 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.002 1.439 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -49.63 -42.77 17.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.038 1.461 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.18 -53.62 56.16 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.001 1.438 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.46 -34.03 33.67 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.978 1.424 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.05 76.55 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.32 -39.52 85.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' CE2' ' A' ' 32' ' ' PHE . 77.0 t -70.82 -39.41 75.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -18.12 65.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.26 2.46 39.98 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.45 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 62.13 51.34 3.61 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.005 1.441 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.18 22.88 4.11 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.972 1.42 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.06 132.63 11.21 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -62.57 1.51 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.042 1.083 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 172.97 -44.26 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.07 -38.73 1.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.485 2.79 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' HG23 ' A' ' 23' ' ' VAL . 4.6 t80 -64.55 -43.8 92.79 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.991 1.432 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.34 -49.0 71.04 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.055 1.472 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -54.93 -44.3 74.12 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -64.21 -39.54 94.18 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 16' ' ' TRP . 54.2 tp -60.6 -42.19 96.25 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.012 1.445 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -63.13 -56.8 13.74 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.965 1.415 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -30.51 65.37 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.978 1.424 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.19 -36.26 69.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.004 1.44 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.46 -47.99 76.94 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -43.91 86.32 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.008 1.442 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.28 -37.48 80.73 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.41 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -36.12 83.14 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -38.38 80.7 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.41 -45.19 93.98 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.5 mtt180 -71.27 -36.79 71.85 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.957 1.033 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.98 -37.79 95.54 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.67 12.63 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.011 1.065 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -56.98 -59.94 4.32 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 26.2 mt -67.66 -29.3 68.55 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.013 1.446 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.02 29.53 73.54 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -100.35 142.31 31.99 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.068 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.612 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.97 39.79 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.012 1.445 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.62 -40.75 88.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.946 1.404 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.612 ' H ' HD22 ' A' ' 53' ' ' ASN . 59.3 mt-10 -62.01 -43.84 97.99 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.024 1.452 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.75 85.51 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.025 1.453 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.45 94.13 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.969 1.418 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 14' ' ' PHE . 44.7 m -61.09 -38.65 87.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.005 1.441 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -61.99 -59.25 5.37 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.07 -37.83 17.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.98 83.55 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.517 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.46 -43.93 35.09 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.991 1.054 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.02 -36.79 75.35 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.056 1.473 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mm -61.95 -35.62 69.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.424 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.3 t -73.86 -45.37 49.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.7 mt-10 -62.06 -30.28 70.87 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 19.2 mttm -71.46 -38.83 71.25 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.991 1.432 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.29 -30.7 20.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.03 1.456 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.19 -32.45 61.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.61 69.5 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.997 1.436 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.21 -19.38 50.93 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.27 97.08 0.26 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.975 1.422 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.944 1.403 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.01 138.48 54.53 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.013 1.446 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -72.9 -36.61 67.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -50.95 -34.1 27.32 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.998 1.436 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.4 m -66.83 -39.68 87.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.045 1.465 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.82 -44.68 92.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.014 1.446 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.8 p -62.56 -51.63 66.61 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -54.46 -35.71 63.31 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.001 1.438 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.533 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 7.3 t80 -67.01 -50.15 63.08 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.026 1.453 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.71 -39.78 65.49 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.946 1.404 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -64.15 -53.61 41.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.973 1.42 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -55.18 -34.75 64.11 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.005 1.441 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.4 -58.63 6.45 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.989 1.431 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.6 t80 -54.66 -43.49 72.44 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.028 1.455 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.96 -53.23 60.56 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.436 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.7 t90 -50.01 -40.45 44.68 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.477 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -61.31 2.68 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.962 1.414 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.94 -54.19 49.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.95 -32.6 33.85 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -36.65 71.42 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.027 1.454 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.21 -37.88 80.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.009 1.443 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.3 t -71.88 -41.26 69.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.947 1.404 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.75 -17.86 63.47 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.99 1.431 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -83.77 1.49 42.61 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.946 1.404 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 62.85 50.61 3.23 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -133.32 25.32 4.16 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.928 1.392 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.4 133.91 12.12 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.075 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 172.82 -44.1 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.989 1.431 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -39.38 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.466 2.778 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 5.3 t80 -63.91 -44.42 92.99 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.98 -49.27 70.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.043 1.465 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -54.64 -44.35 73.12 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.957 1.411 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.4 mtp85 -64.24 -39.96 95.04 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.024 1.452 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' B' ' 16' ' ' TRP . 60.3 tp -60.3 -42.62 95.9 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.031 1.457 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.71 -56.59 16.28 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -30.7 65.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.951 1.407 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.27 -36.36 71.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.012 1.445 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.5 OUTLIER -63.75 -48.17 78.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.012 1.445 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.37 85.73 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.0 -38.51 82.74 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.968 1.417 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -37.15 86.46 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.03 1.456 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.1 -38.04 81.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.049 1.468 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.54 93.39 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.533 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.1 mtt180 -70.43 -38.06 74.5 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.014 1.067 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.82 95.05 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -49.08 17.65 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.055 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.5 -59.37 5.26 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.407 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.5 mt -68.22 -29.94 68.89 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.47 28.14 73.27 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.94 144.99 27.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.04 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.544 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.78 128.43 36.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -74.31 -37.4 45.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.994 1.434 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.544 ' H ' HD22 ' B' ' 53' ' ' ASN . 60.2 mt-10 -60.36 -50.19 74.61 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.25 79.16 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.978 1.424 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.96 95.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.933 1.396 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 14' ' ' PHE . 36.2 m -59.84 -37.72 80.04 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.051 1.47 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.989 1.431 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.77 -42.59 77.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.99 1.432 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.08 -46.64 93.45 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.481 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.92 -45.53 41.64 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.063 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.06 -36.65 77.89 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -61.91 -35.57 68.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.013 1.445 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -73.51 -45.12 52.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.448 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.481 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.49 -31.13 71.1 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.047 1.467 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 19.8 mttm -71.14 -38.65 72.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.417 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.15 -30.81 20.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.986 1.429 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.5 -31.34 60.15 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.062 1.476 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.08 68.39 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.98 1.425 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.84 -19.86 51.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.011 1.445 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.02 97.02 0.28 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.018 1.449 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.987 1.429 . . . . 0.0 109.278 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -76.85 143.73 39.52 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.994 1.434 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.14 -35.57 74.15 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.041 1.463 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.55 -32.93 30.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.953 1.408 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.0 m -65.88 -38.84 89.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.446 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.34 -45.04 90.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 124.965 1.416 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -62.64 -52.54 62.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.915 1.385 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -53.4 -36.68 61.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 7.3 t80 -66.98 -53.46 31.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.03 1.456 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -40.62 51.99 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.036 1.46 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -63.66 -53.81 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 O-C-N 125.015 1.447 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.84 -36.04 64.6 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.047 1.467 . . . . 0.0 109.285 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 m -62.2 -57.9 9.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 65' ' ' VAL . 87.3 t80 -55.18 -43.06 73.98 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.956 1.41 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.36 -50.58 73.14 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 125.026 1.454 . . . . 0.0 109.341 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.42 ' CD1' HD12 ' A' ' 36' ' ' LEU . 58.5 t90 -52.67 -39.49 61.94 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.94 1.4 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.71 -61.55 2.43 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.008 1.442 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.95 -42.42 14.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.48 -53.56 56.92 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.987 1.429 . . . . 0.0 109.214 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.47 -34.19 34.4 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 0.0 109.289 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -38.52 77.28 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.991 1.432 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.95 -39.03 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' A' ' 32' ' ' PHE . 74.1 t -71.59 -39.06 69.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.74 -18.58 65.43 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.964 1.415 . . . . 0.0 109.336 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.36 2.31 41.06 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.042 1.464 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 62.72 50.26 3.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.039 1.462 . . . . 0.0 109.343 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.74 21.94 5.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.13 132.37 11.03 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -62.64 1.47 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.992 1.054 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.71 -44.49 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.0 -40.0 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.461 2.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.4 t80 -63.37 -43.39 97.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.908 1.38 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.55 -49.79 67.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.022 1.452 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -54.77 -44.58 73.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -63.41 -39.48 94.6 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.999 1.437 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 16' ' ' TRP . 61.0 tp -60.77 -42.19 96.97 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -62.87 -56.57 16.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.962 1.414 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -31.13 66.23 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.012 1.445 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.42 -36.14 71.21 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.956 1.41 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -64.18 -48.69 74.98 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.983 1.427 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -43.41 83.39 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.007 1.442 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 t -68.31 -37.91 81.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.934 1.397 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -36.86 85.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.3 -38.46 81.65 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.985 1.428 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.33 -44.55 95.28 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 20.2 mtt180 -71.53 -36.94 71.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.065 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.53 96.36 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -50.19 13.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.058 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.8 m -56.6 -60.84 2.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.6 mt -67.45 -28.94 68.3 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.021 1.451 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.08 30.0 73.72 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.79 141.88 31.02 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.953 1.031 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.605 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.52 130.18 41.17 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.893 1.37 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.49 -40.63 88.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.074 1.484 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.605 ' H ' HD22 ' A' ' 53' ' ' ASN . 57.1 mt-10 -62.05 -44.53 96.49 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.934 1.396 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.23 -37.73 84.05 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.04 91.06 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.5 m -62.22 -36.37 81.76 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.953 1.408 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -64.97 -66.68 0.51 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.6 t -47.24 -39.22 5.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.019 1.449 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.52 -47.68 89.71 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.531 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.52 -38.54 54.59 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.035 1.08 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.47 -39.12 71.13 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.049 1.468 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.43 -38.85 72.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.0 t -73.0 -45.06 55.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.006 1.441 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.2 mt-10 -61.18 -30.6 70.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.987 1.429 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.1 mttm -71.47 -38.84 71.23 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.37 -31.2 23.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.024 1.452 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.59 -31.46 59.96 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.929 1.393 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -28.1 68.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.101 1.501 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.54 -19.22 50.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.932 1.395 . . . . 0.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.87 97.33 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.116 1.51 . . . . 0.0 109.231 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.925 1.391 . . . . 0.0 109.356 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.3 139.36 54.32 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.96 1.413 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.7 -36.92 70.71 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.996 1.435 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.94 -34.04 40.09 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.949 1.406 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.8 m -66.2 -39.76 89.9 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.016 1.447 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.39 -45.31 93.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -62.4 -53.16 59.05 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -53.22 -35.25 59.72 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.998 1.437 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.527 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.4 t80 -67.19 -51.24 55.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.963 1.414 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -39.67 64.23 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.85 -53.33 45.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.056 1.472 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -55.36 -35.05 64.82 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.053 1.47 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 m -63.09 -58.27 7.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.063 1.477 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.454 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.5 t80 -55.09 -43.41 73.93 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.0 -52.44 65.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.958 1.412 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.439 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.1 t90 -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.074 1.484 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -61.03 -62.09 2.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.949 1.406 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -48.98 -41.82 13.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -58.99 -54.33 48.34 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.022 1.451 . . . . 0.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.48 -32.52 27.59 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.084 1.49 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.8 72.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.899 1.375 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.3 -37.47 80.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.943 1.402 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.48 HG23 ' CE2' ' B' ' 32' ' ' PHE . 77.6 t -72.72 -40.25 61.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 125.101 1.501 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.24 -18.58 65.42 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.024 1.452 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.01 2.29 39.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 63.32 50.95 2.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -132.35 25.67 4.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 0.0 109.297 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.79 133.48 11.83 Favored Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -62.99 1.38 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.025 1.074 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 174.22 -44.41 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.936 1.397 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.95 -42.77 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.502 2.801 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.4 t80 -61.42 -43.53 98.7 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.069 1.481 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -50.43 66.35 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.417 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -55.03 -43.88 74.12 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.99 1.431 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.3 mtp85 -63.84 -39.67 94.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.996 1.435 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.8 tp -60.88 -42.44 97.96 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.985 1.428 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -62.42 -56.11 21.37 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.049 1.468 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -31.17 67.17 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.8 -36.14 72.85 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.98 1.425 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.06 82.31 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.963 1.415 . . . . 0.0 109.393 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.7 t -68.09 -38.58 82.49 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.046 1.466 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -36.94 85.9 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.937 1.398 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -69.13 -37.69 78.44 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.04 1.463 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.85 93.12 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.527 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 22.5 mtt180 -70.85 -39.04 73.17 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.082 1.107 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.98 93.74 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -48.36 19.32 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.073 1.102 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -58.42 -58.88 6.56 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.949 1.405 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.1 mt -68.66 -29.98 68.57 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.951 1.407 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.37 73.67 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.83 144.19 29.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.078 . . . . 0.0 109.275 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.564 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.06 128.16 35.67 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.491 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -73.64 -37.24 49.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.065 1.478 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.564 ' H ' HD22 ' B' ' 53' ' ' ASN . 59.0 mt-10 -60.92 -50.47 73.27 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.961 1.413 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.39 87.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.964 1.415 . . . . 0.0 109.37 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.6 99.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.046 1.467 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.454 HG23 ' HA ' ' B' ' 14' ' ' PHE . 53.2 m -57.66 -36.73 72.27 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.997 1.436 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -64.33 -50.76 66.53 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.971 1.419 . . . . 0.0 109.328 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.01 -42.13 78.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.04 1.463 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.45 -45.07 96.11 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.13 -43.68 61.22 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.058 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.2 mp0 -69.63 -37.29 76.76 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.947 1.404 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -60.07 -36.22 66.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' B' ' 14' ' ' PHE . 38.9 t -74.28 -45.51 46.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.6 mt-10 -61.88 -30.46 70.88 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.983 1.427 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -71.3 -39.38 71.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.08 22.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 124.965 1.416 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.02 -31.5 61.38 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.932 1.395 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -28.1 68.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.059 1.475 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.43 -19.47 49.89 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.76 97.28 0.23 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.881 1.363 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.41 0 O-C-N 125.04 1.463 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -76.9 143.8 39.36 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -70.08 -35.36 74.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.013 1.446 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.79 -34.06 38.25 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.025 1.453 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -65.42 -38.82 91.06 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.996 1.435 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.08 -45.87 89.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.963 1.414 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 p -62.21 -49.54 75.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.072 1.482 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -55.38 -37.06 67.07 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.992 1.433 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' A' ' 46' ' ' ARG . 7.8 t80 -66.93 -51.3 56.98 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.994 1.434 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -40.97 61.41 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.994 1.434 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -63.65 -54.57 30.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.042 1.464 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -54.4 -36.0 63.48 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.96 -57.59 11.11 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.978 1.424 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HA ' HG23 ' A' ' 58' ' ' THR . 85.2 t80 -55.89 -42.43 75.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.014 1.446 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.49 -50.68 72.86 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.015 1.447 . . . . 0.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CD1' HD12 ' A' ' 36' ' ' LEU . 59.2 t90 -52.92 -40.13 63.36 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.409 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.76 -60.92 3.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.067 1.48 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.5 t -49.71 -42.72 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.988 1.43 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -58.03 -53.45 58.09 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.414 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -51.54 -34.54 36.98 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.039 1.462 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -38.03 78.34 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.01 1.444 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.59 -39.32 85.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.005 1.44 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 32' ' ' PHE . 78.9 t -70.59 -39.61 76.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.99 1.431 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.44 -17.98 64.96 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.965 1.416 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.67 2.29 42.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.002 1.439 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 61.87 51.66 3.71 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.966 1.417 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.06 22.65 4.15 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.07 1.481 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.89 133.33 11.72 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -63.09 1.38 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.09 1.112 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 174.04 -44.46 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.07 -38.32 1.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.48 2.787 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.476 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.2 t80 -64.94 -43.58 92.27 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.922 1.389 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.39 -49.29 69.81 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.041 1.463 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -55.76 -44.53 77.73 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.987 1.43 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -63.3 -39.17 93.82 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.061 1.475 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 16' ' ' TRP . 58.9 tp -60.82 -42.55 97.94 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.011 1.444 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -62.65 -56.57 16.56 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.076 1.485 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -31.04 66.07 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.44 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.18 -36.62 69.29 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.031 1.457 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -64.65 -47.89 76.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.074 1.484 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -44.06 85.43 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.35 -37.41 80.45 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.969 1.418 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -36.16 83.28 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.39 -38.62 81.49 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.005 1.441 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.48 -44.66 94.89 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 9' ' ' PHE . 18.8 mtt180 -71.27 -36.81 71.87 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.057 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.93 -37.71 95.38 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -50.62 12.7 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.957 1.034 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -57.11 -60.13 4.06 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.951 1.407 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 9' ' ' PHE . 25.9 mt -67.34 -29.36 68.89 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.964 1.415 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 29.44 73.45 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.9 142.18 31.72 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.983 1.049 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.615 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -72.06 129.89 39.6 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 0.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.484 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.24 -40.81 89.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 124.96 1.413 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.615 ' H ' HD22 ' A' ' 53' ' ' ASN . 58.8 mt-10 -62.18 -43.64 98.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.12 86.24 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.013 1.445 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.33 94.48 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.97 1.418 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 ' HA ' ' A' ' 14' ' ' PHE . 45.6 m -61.23 -38.85 88.12 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.942 1.401 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -62.1 -59.61 4.81 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.7 -37.93 16.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.933 1.395 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -48.82 84.38 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -48.45 -43.75 34.81 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.963 1.037 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.5 -36.36 73.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.414 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.03 -35.62 69.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.7 t -74.41 -45.39 46.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 O-C-N 125.009 1.443 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 3.6 mt-10 -62.16 -30.2 70.89 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.016 1.447 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.5 mttm -71.54 -39.28 70.81 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.96 1.412 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -30.75 21.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.045 1.466 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.18 -32.43 61.24 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.91 68.9 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.959 1.412 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -79.87 -19.11 49.05 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.033 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -170.47 97.18 0.25 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.331 0 O-C-N 125.019 1.449 . . . . 0.0 109.278 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.76 138.69 55.05 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.003 1.439 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -72.71 -36.79 67.9 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.972 1.42 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.22 -34.16 30.94 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.97 1.419 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 51.1 m -66.15 -39.71 90.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.073 1.483 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.3 -45.05 94.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.016 1.448 . . . . 0.0 109.354 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 10.2 p -62.93 -50.74 69.63 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.04 1.462 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -54.26 -35.91 63.04 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.448 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.548 ' CZ ' ' CB ' ' B' ' 46' ' ' ARG . 6.9 t80 -66.89 -50.07 63.61 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.008 1.443 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -40.33 64.52 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.007 1.442 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -64.15 -53.59 41.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.04 1.462 . . . . 0.0 109.228 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -55.16 -34.89 64.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.415 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 m -63.28 -58.22 7.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.037 1.46 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HA ' HG23 ' B' ' 58' ' ' THR . 89.4 t80 -55.0 -43.58 73.73 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.924 1.39 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.63 -53.35 59.14 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.283 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.468 ' CD1' HD12 ' B' ' 36' ' ' LEU . 63.2 t90 -50.28 -40.53 48.59 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.923 1.389 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.43 -61.55 2.51 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.1 t -49.51 -41.42 15.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.03 1.456 . . . . 0.0 109.246 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.98 -54.75 43.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.019 1.45 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.79 -32.2 30.27 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.962 1.414 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -36.55 70.7 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.996 1.435 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.5 -37.89 80.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.015 1.447 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.8 t -71.74 -41.19 70.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 O-C-N 124.949 1.406 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -17.84 63.71 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.957 1.41 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.82 1.24 44.01 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.951 1.407 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.63 50.91 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.081 1.488 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.44 24.83 4.11 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.033 1.458 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.32 134.84 12.75 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -63.14 1.37 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.055 1.091 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 173.7 -44.15 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.51 0 O-C-N 124.999 1.437 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -74.97 -40.24 0.97 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.52 2.813 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.2 t80 -63.43 -44.89 93.27 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.075 1.484 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -49.41 71.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.946 1.404 . . . . 0.0 109.216 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -55.31 -44.29 75.66 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.975 1.422 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.6 mtp85 -63.8 -39.97 95.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' B' ' 16' ' ' TRP . 63.7 tp -60.48 -42.79 97.0 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.972 1.42 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -62.16 -56.17 21.47 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.017 1.448 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -30.52 66.46 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.969 1.418 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -36.27 72.1 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.449 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.519 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -63.98 -48.28 77.07 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.976 1.422 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -43.58 83.85 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.458 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.04 -38.52 82.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.972 1.42 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -37.14 86.56 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.975 1.422 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -67.93 -38.33 82.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.938 1.399 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.41 93.71 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.548 ' CB ' ' CZ ' ' B' ' 9' ' ' PHE . 21.7 mtt180 -70.1 -38.33 75.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.952 1.031 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.81 -37.69 94.74 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -48.84 18.47 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.049 1.087 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.4 m -57.63 -59.35 5.33 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.997 1.435 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' B' ' 9' ' ' PHE . 24.7 mt -68.37 -29.91 68.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.73 27.96 73.18 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.71 144.92 27.43 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.975 1.044 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.548 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -68.52 128.65 37.38 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.478 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -74.18 -37.37 46.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.99 1.431 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.548 ' H ' HD22 ' B' ' 53' ' ' ASN . 60.6 mt-10 -60.51 -50.01 75.26 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.935 1.397 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.27 79.34 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.003 1.439 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.24 94.53 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.001 1.438 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.536 HG23 ' HA ' ' B' ' 14' ' ' PHE . 37.7 m -59.75 -37.63 79.54 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.064 1.478 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.97 -49.43 74.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.068 1.48 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.63 -42.85 77.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.924 1.39 . . . . 0.0 109.379 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.48 93.64 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -48.86 -45.55 41.11 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.004 1.061 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.4 mp0 -69.63 -36.01 75.74 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.946 1.404 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mm -62.23 -35.45 69.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 124.967 1.417 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.2 t -74.16 -45.0 48.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.885 1.366 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.485 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.5 mt-10 -61.47 -30.95 70.92 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -71.49 -38.98 71.15 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.991 1.432 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -30.86 22.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.021 1.45 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 mt -75.6 -31.13 59.81 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -27.53 67.88 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.53 -19.65 49.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.04 1.463 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -170.2 97.07 0.27 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.95 1.407 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.344 0.349 0 O-C-N 125.103 1.502 . . . . 0.0 109.326 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -76.83 143.69 39.58 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.987 1.429 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -69.72 -35.74 75.29 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.04 1.463 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -51.74 -32.46 30.61 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.408 . . . . 0.0 109.349 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -66.15 -38.84 89.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.946 1.404 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.29 -45.32 90.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.064 1.478 . . . . 0.0 109.335 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 p -62.21 -53.19 58.8 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.933 1.396 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -53.38 -36.15 61.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE1' ' CB ' ' A' ' 46' ' ' ARG . 8.0 t80 -67.18 -53.94 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -39.76 52.06 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.019 1.449 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.99 -53.6 42.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -55.03 -35.96 64.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.988 1.43 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.28 -57.75 10.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 65' ' ' VAL . 86.7 t80 -55.31 -43.5 74.92 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.052 1.47 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.85 -51.12 70.92 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.955 1.409 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.437 ' CD1' HD12 ' A' ' 36' ' ' LEU . 65.6 t90 -52.53 -38.97 60.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.036 1.46 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -61.72 -61.81 2.25 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.352 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -49.42 -42.15 16.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.002 1.439 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.74 -53.88 53.38 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.025 1.453 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.27 -33.65 29.44 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.031 1.457 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -38.01 74.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.256 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.4 -38.61 83.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.974 1.421 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' CE2' ' A' ' 32' ' ' PHE . 73.2 t -72.16 -39.19 64.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.001 1.438 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.43 -18.9 65.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.054 1.471 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.76 2.59 37.27 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.979 1.424 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.65 49.73 3.75 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.059 1.474 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.2 22.12 5.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.009 1.443 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.01 131.54 10.47 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -62.46 1.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.05 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 173.54 -44.36 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.101 1.501 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.494 2.796 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -62.54 -42.84 99.79 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.982 1.426 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.85 -50.46 64.49 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.049 1.468 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -54.25 -44.01 71.4 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.047 1.467 . . . . 0.0 109.387 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -64.08 -39.61 94.44 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 16' ' ' TRP . 63.1 tp -60.92 -41.99 97.22 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.031 1.457 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -62.8 -56.61 15.91 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.007 1.442 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -30.32 66.57 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.989 1.43 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.32 -36.04 71.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.929 1.393 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.41 -48.7 76.75 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -42.59 86.15 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.424 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -68.12 -38.19 81.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.023 1.452 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.07 86.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -68.66 -38.05 80.11 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.941 1.4 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.15 -44.85 95.1 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' CB ' ' CE1' ' A' ' 9' ' ' PHE . 19.1 mtt180 -71.98 -36.99 69.96 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.921 1.012 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.34 -38.68 96.65 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -49.85 14.45 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.028 1.075 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.6 m -56.77 -60.63 3.27 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.061 1.475 . . . . 0.0 109.224 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 9' ' ' PHE . 27.4 mt -67.77 -28.75 67.88 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.012 1.445 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.05 29.96 73.74 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.91 142.27 30.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.0 1.059 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.606 HD22 ' H ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -70.53 129.62 39.71 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.991 1.432 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' N ' HD22 ' A' ' 53' ' ' ASN . 1.7 mp -65.43 -40.59 88.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.606 ' H ' HD22 ' A' ' 53' ' ' ASN . 57.8 mt-10 -61.88 -44.57 96.54 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.017 1.448 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.29 82.48 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.954 1.409 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.57 91.57 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.04 1.462 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 m -62.37 -36.71 83.14 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.063 1.477 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -64.47 -66.49 0.54 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.936 1.398 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -47.48 -38.98 6.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.033 1.458 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.87 88.75 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.537 ' CE ' ' HG3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -51.93 -37.74 53.78 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.01 1.065 . . . . 0.0 109.369 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 63' ' ' GLN . 1.2 mp0 -71.43 -39.57 70.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.938 1.399 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.16 -39.14 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.023 1.452 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CE2' ' A' ' 14' ' ' PHE . 39.2 t -72.48 -44.92 61.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 O-C-N 125.006 1.441 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 62' ' ' LYS . 4.4 mt-10 -61.48 -30.38 70.57 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.945 1.403 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 18.4 mttm -71.47 -38.17 71.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.992 1.432 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mt -76.61 -31.07 19.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.966 1.416 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.34 -31.44 60.56 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -28.88 69.19 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.64 -19.23 53.07 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.95 1.406 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.85 97.26 0.22 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.995 1.435 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.346 0.429 0 O-C-N 124.968 1.417 . . . . 0.0 109.3 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.19 139.21 54.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.925 1.391 . . . . 0.0 109.323 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -71.75 -36.91 70.56 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.988 1.43 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.98 -33.72 39.22 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -66.16 -39.72 90.0 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -45.22 93.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.0 1.438 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 p -62.32 -53.97 47.29 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.026 1.454 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -52.94 -34.69 56.57 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.544 ' CE1' ' CB ' ' B' ' 46' ' ' ARG . 7.7 t80 -67.38 -51.81 47.56 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.968 1.417 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -39.09 63.86 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.08 -53.14 47.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.944 1.403 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -55.47 -34.92 64.97 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.437 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -63.23 -58.06 8.43 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.999 1.437 . . . . 0.0 109.401 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' B' ' 65' ' ' VAL . 88.4 t80 -55.2 -43.2 74.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.12 -52.97 63.33 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.052 1.47 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.465 ' CD1' HD12 ' B' ' 36' ' ' LEU . 66.8 t90 -50.8 -39.5 52.94 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.983 1.427 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.32 -61.97 2.17 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.991 1.432 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -49.17 -41.82 14.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.002 1.439 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.26 -54.07 51.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.999 1.437 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -51.59 -32.19 27.74 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.55 70.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.997 1.435 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.27 -37.5 80.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 O-C-N 125.025 1.453 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' B' ' 32' ' ' PHE . 71.7 t -73.09 -40.2 58.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.433 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.79 -19.19 65.7 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.75 2.69 36.73 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 63.17 50.6 2.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.011 1.444 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -131.66 25.61 4.72 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.003 1.439 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.84 132.82 11.42 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -63.7 1.27 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.007 1.063 . . . . 0.0 109.383 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . 175.16 -44.31 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.553 0 O-C-N 124.946 1.404 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -75.07 -43.57 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.486 2.79 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' B' ' 23' ' ' VAL . 6.7 t80 -60.91 -43.61 98.34 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.955 1.41 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.43 -50.71 64.4 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.019 1.45 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -53.7 -43.53 69.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 35' ' ' ARG . 2.7 mtp85 -64.75 -39.71 94.07 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.025 1.453 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 16' ' ' TRP . 64.4 tp -61.13 -42.1 97.94 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.044 1.465 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -62.51 -56.16 20.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.043 1.465 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -30.55 67.65 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.021 1.451 . . . . 0.0 109.222 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.78 -36.31 72.98 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.3 OUTLIER -62.95 -49.04 76.31 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -42.32 84.22 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.955 1.409 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -67.78 -38.9 83.99 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.925 1.39 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -37.36 87.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.93 -37.6 79.0 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.964 1.415 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.67 -46.13 92.84 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.544 ' CB ' ' CE1' ' B' ' 9' ' ' PHE . 21.3 mtt180 -70.89 -38.85 73.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.001 1.059 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.18 -37.15 94.03 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.36 18.89 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.992 1.054 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 96.3 m -58.26 -58.81 6.82 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.951 1.407 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' CE2' ' B' ' 9' ' ' PHE . 25.4 mt -69.11 -29.37 67.43 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 28.14 73.56 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -100.11 144.14 29.49 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.048 1.087 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.558 HD22 ' H ' ' B' ' 55' ' ' GLU . 0.1 OUTLIER -69.03 128.15 35.66 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.498 ' N ' HD22 ' B' ' 53' ' ' ASN . 1.7 mp -73.58 -37.41 49.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.961 1.413 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.558 ' H ' HD22 ' B' ' 53' ' ' ASN . 59.9 mt-10 -60.57 -50.7 72.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.929 1.393 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.73 85.06 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.994 1.434 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.01 99.95 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.054 1.471 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.435 HG23 ' HA ' ' B' ' 14' ' ' PHE . 49.4 m -57.58 -36.95 72.4 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.995 1.435 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -63.68 -50.84 67.64 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.957 1.41 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.99 -41.85 78.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.948 1.405 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.06 -45.5 95.15 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.533 ' CE ' ' HG3' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -51.53 -42.64 61.91 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.947 1.028 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 63' ' ' GLN . 1.1 mp0 -69.25 -38.18 78.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.81 -36.49 66.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.007 1.442 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' B' ' 14' ' ' PHE . 39.6 t -73.18 -45.47 53.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.961 1.413 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.533 ' HG3' ' CE ' ' B' ' 62' ' ' LYS . 3.7 mt-10 -61.52 -30.25 70.51 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 18.8 mttm -71.55 -38.49 70.99 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.075 1.484 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.63 -30.64 19.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.037 1.46 . . . . 0.0 109.373 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.41 -31.55 60.44 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.86 69.03 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.989 1.431 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 1.0 OUTLIER -78.41 -19.66 52.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.62 97.25 0.24 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.945 1.403 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.384 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.567 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 60.58 -155.95 0.35 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.049 1.468 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -149.2 42.63 0.93 Allowed 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.006 1.441 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.94 -32.31 70.67 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -48.27 82.08 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.83 -43.58 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.038 1.461 . . . . 0.0 109.356 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 m -57.1 -65.86 0.55 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.026 1.454 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -34.94 1.01 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.018 1.449 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 52' ' ' LEU . 2.3 t80 -63.8 -54.36 36.37 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -51.51 -48.24 63.01 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.83 -56.31 9.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.006 1.441 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -46.13 -48.28 17.31 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.993 1.433 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -52.34 61.24 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.962 1.414 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 62' ' ' LYS . 79.6 t80 -55.29 -36.11 65.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -62.44 -46.7 87.36 Favored 'General case' 0 C--O 1.241 0.631 0 O-C-N 124.93 1.393 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CZ2' ' CD ' ' A' ' 40' ' ' GLN . 72.3 t90 -55.89 -52.68 63.24 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.979 1.425 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.665 ' NE2' HG21 ' A' ' 58' ' ' THR . 57.4 m-70 -55.2 -51.13 67.54 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -38.44 59.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.963 1.415 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.534 HH12 ' CB ' ' A' ' 39' ' ' ASP . 18.1 ttm180 -63.21 -53.15 57.65 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.983 1.427 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -29.92 60.64 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.949 1.405 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.37 66.75 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.9 t -65.1 -55.39 20.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.414 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.1 t -65.35 -32.33 57.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.953 1.408 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -6.78 1.43 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.945 1.403 . . . . 0.0 109.339 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -120.74 25.78 9.51 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.016 1.448 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 35.44 39.73 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.065 1.478 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -108.0 1.69 22.68 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.992 1.432 . . . . 0.0 109.384 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.77 -140.22 1.76 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.89 -58.78 0.28 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.028 1.075 . . . . 0.0 109.223 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.776 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 172.25 -40.22 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.915 1.384 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.776 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.04 -25.1 12.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.442 2.761 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -41.43 66.52 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.004 1.44 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -70.82 -42.9 69.63 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.993 1.433 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.76 -44.8 96.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -26.92 61.49 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.6 tp -65.89 -57.06 8.74 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.964 1.415 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -62.38 -43.73 98.13 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 73.1 ttt180 -62.31 -37.25 84.84 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.104 1.503 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' CB ' HH12 ' A' ' 19' ' ' ARG . 6.8 t0 -69.46 -33.91 73.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.465 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -58.42 -59.42 5.38 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -44.1 68.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.886 1.366 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -62.21 -36.3 81.51 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.993 1.433 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -66.74 0.51 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.993 1.433 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.9 -39.04 0.48 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.02 1.45 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.78 -66.48 2.45 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -52.06 -65.33 0.58 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.937 1.022 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.57 -60.04 1.82 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -42.22 -58.19 2.25 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.045 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -42.27 -53.01 4.29 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -50.19 66.08 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.97 1.419 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.86 23.68 14.86 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -84.6 -175.05 5.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.945 1.027 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -115.11 97.02 5.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.039 1.462 . . . . 0.0 109.235 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.35 -33.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.515 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.811 ' O ' HG22 ' A' ' 58' ' ' THR . 15.3 tp10 -63.71 -67.09 0.46 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.96 -48.86 60.9 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.015 1.447 . . . . 0.0 109.259 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.72 -67.18 0.31 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.976 1.422 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 55' ' ' GLU . 13.8 t -51.62 -26.86 9.74 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.043 1.464 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -56.16 10.64 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.026 1.454 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.65 -39.96 83.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.036 1.46 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.52 92.16 Favored Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -58.73 -34.67 71.63 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.978 1.046 . . . . 0.0 109.386 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -37.04 64.45 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.919 1.387 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -44.67 98.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.046 1.466 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' A' ' 14' ' ' PHE . 79.0 t -70.23 -39.33 76.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.921 1.388 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.7 -32.74 73.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.12 1.513 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -35.2 67.6 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.003 1.439 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' B' ' 21' ' ' GLN . 1.1 mt -76.09 -26.84 17.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -26.94 61.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.965 1.416 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -33.28 68.97 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 3.8 pt-20 -90.52 -0.61 57.73 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 125.006 1.441 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.08 -94.78 0.26 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.941 1.401 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.889 1.368 . . . . 0.0 109.302 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.318 -0.849 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 60.9 -152.76 0.38 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.069 1.481 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -146.01 40.75 1.16 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.43 -32.02 70.97 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.433 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -48.3 81.12 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.82 -41.74 9.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 59.2 m -58.49 -66.13 0.54 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.919 1.387 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.66 -36.47 0.97 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.963 1.414 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.18 -56.12 19.41 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.027 1.454 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -47.89 42.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.23 -51.97 50.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 125.031 1.457 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.43 -49.12 36.44 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.934 1.396 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -51.24 67.06 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.025 1.453 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' B' ' 65' ' ' VAL . 83.4 t80 -56.06 -36.19 67.79 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.979 1.425 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD13 HH21 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -61.86 -48.85 78.68 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.015 1.447 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.511 ' CZ2' ' CD ' ' B' ' 40' ' ' GLN . 73.1 t90 -55.72 -51.15 68.33 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.984 1.428 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.783 ' CE1' HG21 ' B' ' 58' ' ' THR . 51.2 m-70 -55.38 -50.86 68.61 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.969 1.418 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.14 64.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.025 1.453 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.521 HH21 HD13 ' B' ' 15' ' ' LEU . 18.5 ttm180 -63.06 -53.71 49.52 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.999 1.437 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -30.15 61.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.979 1.424 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -72.56 -36.13 68.16 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.962 1.414 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 27' ' ' LEU . 4.3 t -66.11 -54.51 26.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 O-C-N 125.004 1.44 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.47 -31.47 53.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.43 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.97 -7.48 1.77 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.992 1.432 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -120.66 26.08 9.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.919 1.387 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 35.79 39.77 0.08 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.7 OUTLIER -108.45 2.69 22.51 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.037 1.461 . . . . 0.0 109.296 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.89 -141.02 2.4 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -145.92 -58.44 0.31 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.982 1.048 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.78 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 171.94 -39.67 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.043 1.464 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.78 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -75.02 -25.06 12.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.516 2.811 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -41.0 65.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.945 1.403 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.04 -42.82 69.0 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.079 1.487 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.97 -45.49 94.55 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.955 1.41 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -26.84 61.7 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.902 1.376 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.9 tp -65.58 -57.32 8.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.988 1.43 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -62.31 -44.24 96.96 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.962 1.414 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 73.1 ttt180 -61.06 -38.84 87.63 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.496 ' CB ' HH12 ' B' ' 19' ' ' ARG . 7.4 t0 -68.18 -34.44 76.29 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.527 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -59.96 -59.57 5.22 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.975 1.422 . . . . 0.0 109.249 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.36 61.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -64.99 -39.09 92.95 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.974 1.421 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' B' ' 54' ' ' ILE . 0.5 OUTLIER -66.86 -67.06 0.48 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.011 1.444 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -40.07 1.1 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.961 1.413 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.58 -65.07 3.36 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' B' ' 46' ' ' ARG . 15.8 mtm180 -52.54 -65.21 0.6 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.975 1.044 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.29 -59.02 2.71 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.7 m -41.35 -58.35 1.88 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.032 1.077 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.8 m -41.04 -51.75 3.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.982 1.426 . . . . 0.0 109.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -50.43 58.82 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.005 1.441 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.66 25.32 13.67 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.8 OUTLIER -85.4 -170.13 2.97 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.042 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.417 HD22 ' C ' ' B' ' 53' ' ' ASN . 0.2 OUTLIER -114.64 96.3 5.67 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.914 1.384 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.3 mp -45.12 -33.13 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.432 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.806 ' O ' HG22 ' B' ' 58' ' ' THR . 15.3 tp10 -62.23 -67.01 0.45 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.033 1.458 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.12 -45.76 53.17 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.096 1.497 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.1 0.3 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.957 1.411 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.806 HG22 ' O ' ' B' ' 55' ' ' GLU . 11.9 t -51.85 -26.74 10.61 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.973 1.42 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -52.53 38.94 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.01 1.444 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.54 -42.3 90.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.025 1.453 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.6 -44.84 95.33 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.61 -34.16 68.99 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.963 1.037 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -38.1 65.83 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.012 1.445 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -45.24 99.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 124.9 1.375 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 ' CE2' ' B' ' 14' ' ' PHE . 72.3 t -69.35 -38.69 77.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.004 1.44 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.87 -32.94 74.29 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.997 1.436 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -35.72 70.52 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.051 1.469 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -27.03 18.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.914 1.384 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -26.93 60.8 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.17 69.23 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.009 1.443 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.26 -1.65 57.95 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.898 1.374 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -100.58 -94.57 0.27 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.026 1.453 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--N 1.345 0.404 0 O-C-N 124.998 1.436 . . . . 0.0 109.234 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.3 m-20 52.54 -97.67 0.06 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.02 1.45 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.93 -85.82 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.025 1.453 . . . . 0.0 109.256 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.7 -33.18 74.4 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.024 1.453 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.706 HG23 ' OD2' ' B' ' 29' ' ' ASP . 29.6 m -50.71 -68.64 0.15 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -49.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 124.984 1.428 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -55.06 20.57 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.445 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -40.54 57.09 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.75 -50.2 74.03 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.999 1.437 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.65 74.48 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 125.035 1.459 . . . . 0.0 109.285 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' B' ' 27' ' ' LEU . 62.6 t -55.38 -64.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 O-C-N 124.984 1.427 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -42.34 -43.6 3.58 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' CA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.49 -53.93 50.26 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.981 1.426 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CE2' HG21 ' A' ' 65' ' ' VAL . 54.5 t80 -57.75 -48.29 80.07 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.9 mt -55.84 -34.88 65.81 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.998 1.436 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 36' ' ' LEU . 36.9 t90 -65.07 -48.1 74.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CE1' HG21 ' A' ' 58' ' ' THR . 16.7 m-70 -57.35 -53.38 58.75 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.448 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 27.4 m -59.35 -35.78 60.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -49.47 72.22 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 124.972 1.42 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' CE ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 tptm -57.75 -37.38 73.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.78 63.19 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.7 t -66.79 -56.15 15.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 124.918 1.386 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -37.81 72.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.023 1.452 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 3.3 t70 -57.05 -33.43 67.22 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.085 1.491 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 2.6 mt-30 -86.83 14.18 7.65 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.458 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 11.4 pt-20 47.46 43.38 15.64 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.996 1.435 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.77 5.89 14.27 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.64 -149.98 8.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.705 ' OD2' HG23 ' B' ' 5' ' ' THR . 1.8 t0 -137.85 -48.04 0.55 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.079 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.57 -41.25 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.14 17.23 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.534 2.822 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 22' ' ' VAL . 5.6 m-30 -70.27 -43.62 70.1 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.979 1.424 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.16 -43.31 53.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.073 1.483 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.38 -56.57 16.99 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.028 1.455 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -57.37 -48.14 79.8 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 16' ' ' TRP . 32.1 tp -55.18 -46.41 75.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.067 1.48 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 37' ' ' ARG . 5.1 ttt-85 -54.05 -53.89 46.87 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.974 1.421 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -27.0 68.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.006 1.441 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.43 -27.09 61.25 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.954 1.409 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' A' ' 40' ' ' GLN . 1.0 OUTLIER -71.17 -47.67 56.25 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.941 1.4 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -40.65 91.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -69.41 -66.92 0.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.24 -33.79 1.69 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.989 1.431 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -63.26 -53.06 58.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.014 1.446 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.37 66.25 Favored Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 49' ' ' THR . 33.6 mtp180 -57.91 -41.57 82.93 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.042 1.084 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.99 -66.07 3.09 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -52.12 -39.6 60.11 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.071 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -51.41 -54.19 29.14 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.948 1.405 . . . . 0.0 109.252 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.02 -55.97 5.78 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.77 34.57 5.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' H ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -90.33 -120.68 0.06 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.07 . . . . 0.0 109.388 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -166.94 97.96 0.53 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.025 1.453 . . . . 0.0 109.32 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -39.73 -38.25 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.037 1.46 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.789 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -62.31 -67.12 0.44 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.942 1.402 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.0 -57.88 7.48 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.41 -67.36 0.29 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.969 1.418 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 55' ' ' GLU . 4.9 t -48.14 -27.09 2.17 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -56.82 5.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.99 1.431 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.99 -45.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.88 55.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.51 -36.23 33.07 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -37.28 67.96 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.458 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mm -61.44 -46.54 96.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.012 1.445 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 t -64.43 -54.63 28.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.977 1.423 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -54.8 -28.32 48.35 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.002 1.439 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -76.76 -26.87 55.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.47 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -34.89 25.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.931 1.394 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.48 -33.29 69.16 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.994 1.434 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -63.09 -25.73 68.5 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.3 -24.01 23.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.235 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -166.15 94.25 0.55 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.011 1.444 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.92 1.388 . . . . 0.0 109.301 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' B' ' 3' ' ' SER . 82.2 m-20 51.47 -96.71 0.05 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.019 1.449 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 155.86 -86.36 0.0 OUTLIER 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.98 1.425 . . . . 0.0 109.368 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.07 -32.2 73.23 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.936 1.397 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.705 HG23 ' OD2' ' A' ' 29' ' ' ASP . 29.4 m -51.19 -68.99 0.12 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.037 1.461 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -48.95 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.963 1.414 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -56.62 13.64 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.051 1.469 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -49.42 -40.25 35.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.978 1.424 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.22 -51.86 67.97 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.969 1.418 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.54 68.53 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 65.3 t -54.6 -64.21 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 125.023 1.452 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -42.84 -43.69 4.15 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.431 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.71 -54.33 43.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.086 1.492 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 54.6 t80 -57.78 -47.69 81.83 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.532 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 5.0 mt -56.43 -34.92 67.26 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.891 1.369 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' B' ' 36' ' ' LEU . 29.3 t90 -65.01 -47.41 77.6 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.999 1.437 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.701 ' CE1' HG21 ' B' ' 58' ' ' THR . 16.2 m-70 -57.94 -53.69 55.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.448 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 24.9 m -58.88 -36.95 64.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.975 1.422 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.2 mtm180 -63.43 -49.15 74.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.924 1.39 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 24' ' ' ASP . 2.9 tptm -57.28 -37.52 72.52 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.471 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -29.88 63.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.965 1.416 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.7 t -66.69 -56.17 15.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.995 1.434 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' B' ' 19' ' ' ARG . 0.1 OUTLIER -70.19 -37.5 71.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' CE ' ' B' ' 20' ' ' LYS . 3.0 t70 -56.78 -34.13 67.32 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.972 1.42 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' B' ' 26' ' ' GLU . 2.4 mt-30 -86.91 14.3 7.55 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.963 1.414 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' B' ' 25' ' ' GLN . 11.1 pt-20 47.75 43.22 16.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.908 1.38 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 22' ' ' VAL . 0.2 OUTLIER -115.29 6.97 15.07 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.47 -150.16 9.79 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 5' ' ' THR . 2.0 t0 -137.27 -47.68 0.58 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.07 1.1 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.28 -41.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.032 1.458 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.01 -20.22 17.06 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.534 2.823 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CD2' HG11 ' B' ' 22' ' ' VAL . 5.5 m-30 -70.1 -43.71 70.51 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.4 -43.09 51.91 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.984 1.427 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.17 -56.65 16.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.963 1.415 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 35' ' ' ARG . 7.8 mtp85 -57.75 -48.87 78.41 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.02 1.45 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' B' ' 16' ' ' TRP . 39.6 tp -54.95 -44.79 74.66 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.979 1.424 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 37' ' ' ARG . 5.1 ttt-85 -55.38 -54.57 42.0 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.941 1.401 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -27.13 69.01 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.444 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -74.04 -27.03 60.73 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.05 1.469 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HA ' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -71.74 -46.25 59.14 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 125.084 1.49 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -40.14 89.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.009 1.443 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -70.65 -67.01 0.53 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.984 1.428 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -45.41 -32.51 2.14 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.99 1.431 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -65.49 -51.37 60.53 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.997 1.436 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.46 -49.96 71.55 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' B' ' 49' ' ' THR . 26.1 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.0 1.059 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.64 -65.64 3.4 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -48.82 -40.43 29.18 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.057 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -52.31 -51.48 58.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.026 1.454 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.38 -57.27 4.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.973 1.42 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.57 36.8 5.23 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.476 HD13 ' H ' ' B' ' 53' ' ' ASN . 0.5 OUTLIER -91.23 -118.93 0.07 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.065 1.097 . . . . 0.0 109.42 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.476 ' H ' HD13 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -164.02 98.75 0.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.039 1.462 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.7 mp -43.44 -37.76 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.986 1.429 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.765 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -60.64 -65.65 0.65 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.893 1.371 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -51.14 -57.3 9.09 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.94 1.4 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.51 -67.4 0.28 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 55' ' ' GLU . 3.5 t -47.75 -26.8 1.71 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.024 1.452 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.6 OUTLIER -69.0 -56.53 7.49 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.023 1.452 . . . . 0.0 109.302 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -52.52 -45.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.043 1.464 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.97 60.64 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.483 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.83 -35.34 44.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.048 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -37.95 68.45 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.982 1.426 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.06 -47.19 94.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.014 1.446 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' B' ' 14' ' ' PHE . 25.5 t -64.06 -54.43 31.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.7 -28.17 45.75 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.949 1.406 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.1 tttm -76.58 -27.08 55.69 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.991 1.432 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -34.62 24.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.027 1.455 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -72.34 -32.83 66.84 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -62.72 -25.15 68.03 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.435 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -22.31 34.4 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.049 1.468 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -166.3 94.99 0.55 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.957 1.411 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.405 0 O-C-N 124.99 1.431 . . . . 0.0 109.317 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 61.54 -152.63 0.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.998 1.436 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -142.69 53.69 1.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.964 1.415 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -61.86 -38.3 87.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -47.31 68.51 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.08 1.488 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.29 -47.49 25.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.983 1.427 . . . . 0.0 109.35 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -55.68 -63.4 1.19 Allowed 'General case' 0 C--O 1.238 0.482 0 O-C-N 124.941 1.401 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' B' ' 29' ' ' ASP . 0.3 OUTLIER -47.03 -36.66 8.21 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.049 1.468 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.41 -57.15 14.2 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -51.91 -46.15 64.5 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.035 1.459 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.55 -57.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.958 1.411 . . . . 0.0 109.231 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.27 -44.86 23.4 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -55.72 27.39 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.018 1.448 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE2' HG21 ' A' ' 65' ' ' VAL . 68.3 t80 -55.58 -35.87 66.26 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -47.44 85.46 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.018 1.448 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HE1' ' HB2' ' A' ' 40' ' ' GLN . 71.7 t90 -57.78 -51.27 70.24 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.976 1.423 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' HG21 ' A' ' 58' ' ' THR . 47.7 m-70 -55.2 -50.62 68.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -39.0 51.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.026 1.454 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 18.2 ttm180 -65.21 -51.65 59.65 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.034 1.459 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -52.82 -33.48 49.4 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.958 1.411 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -38.66 69.22 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.006 1.442 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.03 -57.43 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.954 1.409 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLN . 4.0 t -63.56 -38.02 81.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.442 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 5.8 t70 -62.65 -3.03 1.29 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.107 1.504 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -119.74 22.07 11.73 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.019 1.45 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 35.65 40.91 0.09 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.934 1.396 . . . . 0.0 109.256 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -113.56 9.3 17.93 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.054 1.471 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.43 -134.37 5.27 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD2' ' CB ' ' B' ' 8' ' ' SER . 0.0 OUTLIER -151.57 -64.54 0.18 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.979 1.046 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.885 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 179.14 -39.3 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.885 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.05 -20.3 16.9 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.48 2.787 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -40.01 61.2 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 tp -74.23 -42.65 59.37 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.948 1.405 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.41 -47.31 86.34 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.048 1.468 . . . . 0.0 109.391 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -29.27 64.48 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.27 -54.29 31.49 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' CG ' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -61.11 -46.49 90.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.063 1.477 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 65.4 ttt180 -61.62 -36.51 80.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.033 1.458 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.59 -33.92 74.89 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.021 1.451 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -59.22 -58.02 10.48 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.016 1.447 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -44.27 66.19 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.968 1.418 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -63.49 -37.53 87.64 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.095 1.497 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -66.42 0.55 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.016 1.448 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.84 0.8 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.0 1.438 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.42 -62.62 5.18 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 10.6 mtm180 -55.14 -64.03 0.97 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.57 -59.73 2.64 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 m -42.31 -57.95 2.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.954 1.032 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 m -40.58 -50.97 3.0 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -50.84 37.4 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.055 1.472 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.57 29.06 12.66 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -85.69 -172.93 4.37 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.071 1.101 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -108.21 90.45 3.3 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.027 1.455 . . . . 0.0 109.325 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.2 mp -41.26 -35.34 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.051 1.47 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.816 ' O ' HG22 ' A' ' 58' ' ' THR . 13.9 tp10 -61.33 -66.87 0.47 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.04 1.463 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.28 63.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.925 1.39 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . . . -45.85 -67.29 0.3 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.03 1.456 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 55' ' ' GLU . 10.6 t -51.24 -26.92 7.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.984 1.428 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -54.92 14.93 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.042 1.464 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.93 -39.17 81.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.457 . . . . 0.0 109.235 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.14 85.25 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.08 -36.02 67.64 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.904 1.002 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -35.41 65.77 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.985 1.428 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -45.08 99.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.98 1.425 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG21 ' CE2' ' A' ' 14' ' ' PHE . 76.1 t -70.22 -39.99 77.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.944 1.403 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.95 -31.9 72.27 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.934 1.396 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.87 65.66 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.035 1.46 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mt -74.65 -27.61 21.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.981 1.426 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -27.01 55.85 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.983 1.427 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -33.34 73.55 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.437 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -89.95 -0.73 57.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.968 1.417 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -92.93 -95.53 0.14 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.003 1.439 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.372 0 O-C-N 125.051 1.469 . . . . 0.0 109.319 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.13 -150.02 0.37 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.442 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -139.02 52.2 1.78 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.046 1.467 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.79 -37.42 84.31 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -46.73 72.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.041 1.463 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.93 -45.55 28.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.053 1.471 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -57.77 -64.43 0.9 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.052 1.47 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.404 ' CB ' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -44.66 -36.97 3.36 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.99 -58.47 8.4 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.963 1.415 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -45.43 40.29 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.99 1.431 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -54.8 -54.57 22.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.25 -45.55 44.89 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.444 . . . . 0.0 109.358 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -56.1 21.87 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.942 1.401 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' B' ' 65' ' ' VAL . 73.7 t80 -56.09 -35.71 67.32 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.955 1.41 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -47.64 84.78 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.525 ' HE1' ' HB2' ' B' ' 40' ' ' GLN . 71.6 t90 -57.59 -51.38 69.74 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.977 1.423 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.703 ' CE1' HG21 ' B' ' 58' ' ' THR . 47.1 m-70 -55.1 -50.82 68.23 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.999 1.437 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -37.61 50.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.544 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 16.9 ttm180 -65.91 -51.18 60.89 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.031 1.457 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HE3' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -52.76 -33.79 50.07 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.92 67.64 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.957 1.41 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' B' ' 32' ' ' PHE . 3.4 t -61.34 -57.06 13.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' B' ' 25' ' ' GLN . 4.4 t -63.99 -37.45 79.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.981 1.426 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.429 ' CB ' ' HE3' ' B' ' 20' ' ' LYS . 6.2 t70 -62.67 -3.43 1.5 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.048 1.467 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.497 ' CB ' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -119.3 22.08 11.94 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.001 1.438 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 35.59 41.15 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.977 1.423 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.497 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -113.61 11.02 18.14 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.413 . . . . 0.0 109.27 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.61 -134.82 6.42 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -151.2 -63.61 0.19 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.058 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.892 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 178.63 -39.04 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.599 0 O-C-N 125.033 1.458 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.97 -20.45 16.93 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.527 2.818 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -74.78 -39.91 61.46 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.47 -42.57 58.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.009 1.443 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -61.48 -47.22 86.64 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.921 1.388 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -29.48 64.44 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 1.0 OUTLIER -64.98 -54.65 27.21 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.928 1.393 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER -61.36 -46.6 89.53 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.059 1.474 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' B' ' 37' ' ' ARG . 65.9 ttt180 -60.69 -37.75 82.69 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -67.68 -34.68 77.39 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.01 1.444 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.525 ' HB2' ' HE1' ' B' ' 16' ' ' TRP . 0.0 OUTLIER -60.5 -59.29 5.63 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.047 1.467 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -42.69 52.57 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 125.016 1.447 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -65.68 -39.78 91.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.995 1.434 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -67.11 0.47 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.007 1.442 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -41.18 -39.43 1.31 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.05 1.468 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -62.82 5.4 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -55.39 -63.98 0.99 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.006 1.062 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.99 -60.03 2.73 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -41.64 -58.89 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.049 1.088 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -40.17 -49.28 2.64 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.009 1.443 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -50.55 34.7 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.054 1.471 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.19 11.34 Favored Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.53 ' CD1' HD12 ' B' ' 54' ' ' ILE . 0.7 OUTLIER -86.46 -169.97 2.87 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.042 1.083 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -109.81 92.13 3.92 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.064 1.477 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' B' ' 52' ' ' LEU . 1.2 mp -44.87 -33.7 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.088 1.493 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.817 ' O ' HG22 ' B' ' 58' ' ' THR . 14.7 tp10 -62.5 -66.7 0.5 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.059 1.475 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.66 51.37 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.987 1.429 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.11 -67.08 0.3 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.057 1.473 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.817 HG22 ' O ' ' B' ' 55' ' ' GLU . 10.8 t -51.34 -26.87 8.32 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.003 1.439 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -54.07 22.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.933 1.396 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.37 -40.43 81.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.039 1.462 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.02 -46.63 93.45 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -55.62 -35.33 65.76 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.009 1.064 . . . . 0.0 109.308 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -36.67 66.81 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.927 1.392 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -45.62 98.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 0.0 109.222 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' B' ' 14' ' ' PHE . 76.0 t -69.83 -39.38 77.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.927 1.392 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.77 -32.3 72.56 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.994 1.434 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.28 66.59 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.15 -27.64 22.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.023 1.452 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -27.0 56.87 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.997 1.436 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.44 73.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.952 1.408 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -89.83 -0.67 57.7 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.001 1.438 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -93.22 -95.47 0.15 Allowed 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.014 1.446 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 125.044 1.465 . . . . 0.0 109.308 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 75.7 m-20 58.62 -90.66 0.03 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.96 1.412 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.61 -93.7 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.986 1.429 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -19.14 61.6 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 23.4 m -69.08 -61.56 1.74 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.018 1.449 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -43.1 -42.57 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.043 1.464 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -53.28 -58.27 7.64 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 125.048 1.467 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' CD1' ' B' ' 32' ' ' PHE . 0.1 OUTLIER -50.9 -37.46 43.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.949 1.406 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -58.0 -60.73 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.983 1.427 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -48.91 -59.41 3.62 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.051 1.469 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.87 -62.98 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.017 1.448 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -38.23 -58.28 1.0 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.975 1.422 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.54 -57.2 4.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.92 1.387 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 65' ' ' VAL . 82.9 t80 -50.29 -45.96 54.92 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.003 1.44 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.7 mt -55.73 -37.65 68.72 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.904 1.378 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' A' ' 40' ' ' GLN . 42.7 t90 -67.1 -40.86 86.98 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.705 ' CE1' HG21 ' A' ' 58' ' ' THR . 20.4 m-70 -61.89 -53.38 56.52 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.966 1.416 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.0 m -57.63 -38.19 63.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 125.012 1.445 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -62.83 -55.11 29.23 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE3' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.64 -33.59 34.11 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.927 1.392 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -34.22 66.5 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.945 1.403 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.5 t -65.47 -53.46 39.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.995 1.435 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 22.2 t70 -69.12 7.93 0.65 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.422 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.4 mt-30 -120.92 22.99 10.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.1 pt-20 33.47 42.83 0.05 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.954 1.409 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.7 -19.27 13.48 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.974 1.421 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.66 -159.96 0.89 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 5.4 t70 -141.21 -39.32 0.4 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.018 1.07 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.49 -39.45 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.491 0 O-C-N 124.997 1.436 . . . . 0.0 109.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.08 -19.59 17.54 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.457 2.771 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-30 -74.41 -43.2 57.39 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.055 1.472 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.48 -40.51 61.81 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.088 1.492 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.59 -56.52 20.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.027 1.454 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -57.84 -49.34 76.98 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.467 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.75 -39.22 70.88 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.965 1.415 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -59.86 -57.32 13.39 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -28.53 69.3 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.002 1.439 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.36 -36.89 77.31 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.021 1.451 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -60.92 -61.73 2.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -40.68 53.25 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 124.924 1.39 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.96 -42.02 94.95 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.0 1.438 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.38 -58.33 8.07 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.423 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -48.73 6.55 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.78 93.74 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 5.1 mtt180 -58.58 -67.01 0.4 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.064 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.28 -66.92 1.35 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -61.61 1.03 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m -37.31 -45.13 0.65 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.013 1.445 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.05 -65.82 0.95 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 125.04 1.462 . . . . 0.0 109.382 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.87 15.2 19.1 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 50' ' ' LEU . 42.5 mt -70.97 -101.87 0.01 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.982 1.048 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.57 0.04 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.993 1.433 . . . . 0.0 109.247 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -35.77 -47.4 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.06 1.475 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.18 -61.96 2.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.453 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.87 -61.53 1.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.957 1.411 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.67 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.99 1.432 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.705 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -47.78 -28.98 2.8 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.31 -66.46 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.017 1.448 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -49.61 -39.95 14.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 124.952 1.407 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.71 93.54 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.66 -34.67 59.43 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.982 1.048 . . . . 0.0 109.327 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -74.13 -40.44 62.64 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.973 1.42 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -40.74 85.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 O-C-N 125.035 1.459 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 14' ' ' PHE . 51.3 t -69.83 -47.47 69.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.93 1.394 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -32.36 65.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.035 1.459 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -72.12 -35.71 69.21 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER -77.16 -27.47 16.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 124.97 1.419 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.66 -37.62 65.22 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.995 1.434 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -24.58 66.68 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.069 1.48 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.48 -20.2 40.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.946 1.404 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.85 95.09 0.69 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.343 0.316 0 O-C-N 125.049 1.468 . . . . 0.0 109.283 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.537 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' B' ' 3' ' ' SER . 76.3 m-20 58.62 -90.72 0.03 OUTLIER 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.009 1.443 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.58 -93.83 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.998 1.436 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -18.67 61.99 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.994 1.434 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 23.0 m -69.58 -62.0 1.56 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 2.1 m -42.98 -42.69 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.057 1.473 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -53.11 -58.37 7.24 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.455 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -50.77 -37.59 43.09 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.09 1.494 . . . . 0.0 109.262 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.57 -57.69 11.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -50.74 -59.34 4.19 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.89 -62.9 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -37.89 -59.63 0.81 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.001 1.438 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.516 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -45.65 -57.42 4.22 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.92 1.387 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' B' ' 65' ' ' VAL . 79.7 t80 -50.25 -45.75 54.36 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.99 1.431 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.5 mt -55.32 -38.21 68.4 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.083 1.489 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.409 ' HE1' ' CA ' ' B' ' 40' ' ' GLN . 39.3 t90 -66.95 -40.41 87.54 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.732 ' CE1' HG21 ' B' ' 58' ' ' THR . 19.2 m-70 -61.83 -53.45 55.69 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.006 1.441 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.4 m -58.1 -37.72 63.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -62.87 -55.52 25.45 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.055 1.472 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -33.26 35.19 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.044 1.465 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -34.04 66.7 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.035 1.46 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.4 t -65.94 -53.58 36.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.989 1.43 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.7 t -66.02 -38.72 82.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.92 1.387 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.94 7.91 0.62 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.0 1.438 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.4 mt-30 -121.01 22.73 10.94 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.896 1.372 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.559 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.1 pt-20 33.4 42.96 0.04 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.041 1.463 . . . . 0.0 109.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.6 pp -108.64 -18.88 13.61 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.006 1.441 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.7 0.9 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 5.4 t70 -141.25 -39.21 0.4 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.048 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.764 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.41 -39.61 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.527 0 O-C-N 124.935 1.397 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.764 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.0 -19.4 17.88 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.537 2.825 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -74.68 -43.16 56.58 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.952 1.408 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.6 -40.27 61.67 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.973 1.421 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.58 -56.37 22.12 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -58.03 -49.41 76.96 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.993 1.433 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.88 -38.94 70.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.972 1.42 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -60.33 -57.45 12.73 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -29.14 69.33 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.432 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.59 -37.23 76.85 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.937 1.398 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.532 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.81 -61.81 2.32 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.981 1.426 . . . . 0.0 109.268 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -40.58 51.5 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.035 1.459 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -64.53 -43.32 94.39 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.444 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.92 -58.04 9.43 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -49.08 5.37 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.974 1.421 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.76 -47.67 89.84 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 5.8 mtt180 -58.63 -67.16 0.39 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.069 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.06 -64.84 2.53 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -41.3 -61.52 1.02 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.053 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -37.98 -44.16 0.77 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.425 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -78.43 -66.27 0.88 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.0 1.438 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 15.71 21.52 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.75 -101.34 0.01 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.993 1.055 . . . . 0.0 109.375 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.33 103.71 0.08 Allowed 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.988 1.43 . . . . 0.0 109.273 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mp -40.14 -46.07 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.975 1.422 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.64 -60.08 4.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.95 -62.53 1.36 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.271 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.46 -67.12 0.31 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.07 1.481 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.732 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.6 OUTLIER -47.17 -29.44 2.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.911 1.382 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -61.05 -66.44 0.53 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.012 1.445 . . . . 0.0 109.347 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.92 -40.01 15.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.045 1.466 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.79 93.53 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -53.38 -34.41 57.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.041 1.083 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.05 -41.4 61.82 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.079 1.487 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -40.58 83.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' B' ' 14' ' ' PHE . 52.6 t -69.73 -47.5 70.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.946 1.404 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -32.82 64.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.982 1.426 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -71.69 -36.03 70.46 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -76.94 -27.02 16.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.433 . . . . 0.0 109.224 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.28 -37.49 66.23 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.954 1.409 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -24.58 66.49 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.004 1.44 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.68 -20.06 40.32 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.956 1.41 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.81 95.02 0.7 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.962 1.414 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.393 0 O-C-N 124.976 1.423 . . . . 0.0 109.253 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.5 m-20 61.57 -87.07 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.98 1.425 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 154.45 -94.29 0.0 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.02 1.45 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -15.95 61.92 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.006 1.441 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -69.58 -56.6 6.87 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.439 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 2.1 m -52.92 -44.64 49.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 125.068 1.48 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -50.48 -56.99 9.12 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.051 1.469 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -52.88 -38.33 61.54 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.019 1.449 . . . . 0.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -56.26 -60.93 2.8 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.988 1.43 . . . . 0.0 109.305 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.23 -54.12 18.2 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.981 1.425 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' B' ' 32' ' ' PHE . 72.2 t -48.58 -61.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.965 1.416 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -40.14 -55.86 2.03 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.959 1.412 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -47.76 -56.33 7.61 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.975 1.422 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 71.8 t80 -51.02 -50.11 59.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.934 1.396 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 26.4 mt -54.51 -37.9 65.88 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.942 1.401 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -65.65 -43.17 90.23 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.76 ' CE1' HG21 ' A' ' 58' ' ' THR . 18.6 m-70 -60.78 -54.47 44.85 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 20.7 m -57.27 -34.71 46.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 125.001 1.438 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -67.48 -48.74 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG3' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -55.19 -37.43 67.05 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.902 1.376 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 HE21 ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -76.35 -31.25 57.98 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -60.47 -48.1 89.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.98 1.425 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -74.64 -41.56 48.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 124.979 1.425 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -28.47 65.02 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CB ' HD23 ' A' ' 27' ' ' LEU . 3.2 mt-30 -92.44 21.72 5.12 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.025 1.453 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.6 pt-20 28.08 65.47 0.09 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.96 1.412 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.1 pp -131.86 -10.95 3.44 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.044 1.465 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -163.27 0.73 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 13.8 t0 -130.87 -42.62 1.11 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.963 1.037 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 168.55 -40.95 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.613 0 O-C-N 124.939 1.4 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.01 -24.19 13.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.476 2.784 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 22' ' ' VAL . 4.0 m-30 -69.05 -40.61 78.45 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.959 1.412 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.66 -49.06 22.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.93 1.394 . . . . 0.0 109.399 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.57 -53.5 57.59 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.055 1.472 . . . . 0.0 109.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -57.29 -48.84 77.89 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -56.45 -39.54 73.31 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.0 1.437 . . . . 0.0 109.366 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.89 -55.45 34.96 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.041 1.463 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.922 1.389 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -73.83 -29.63 62.24 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.964 1.415 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.483 HE21 ' CA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -64.82 -57.5 8.7 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.003 1.439 . . . . 0.0 109.381 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.99 88.68 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.037 1.46 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 t -62.99 -42.7 99.92 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.967 1.417 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -61.14 2.38 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.071 1.482 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -45.0 2.51 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.041 1.463 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -52.5 45.83 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.5 mtt180 -57.42 -67.25 0.34 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.41 -66.24 1.44 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -41.14 -59.56 1.47 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.952 1.031 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -39.34 -58.94 1.13 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -62.44 -58.57 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.33 26.68 11.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.9 mt -78.85 -104.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.066 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.81 99.36 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.443 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.6 mp -36.33 -46.7 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.961 1.413 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.629 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.46 1.81 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.74 -61.3 1.91 Allowed 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.994 1.434 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.57 -67.28 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.056 1.472 . . . . 0.0 109.322 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.76 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -47.41 -30.18 3.15 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.965 1.415 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -62.83 -66.89 0.48 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.959 1.412 . . . . 0.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.62 -43.1 31.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 125.034 1.459 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.01 -47.89 70.44 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -54.91 -33.84 62.5 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.07 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.0 -38.83 66.47 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -44.42 98.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.015 1.447 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 14' ' ' PHE . 53.2 t -65.83 -49.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.999 1.437 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.9 64.57 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.011 1.445 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -69.4 -38.6 78.04 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.113 1.508 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.14 17.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.08 -40.69 68.06 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.08 1.488 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -24.63 61.33 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.88 -19.79 40.18 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.027 1.454 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.19 94.86 0.74 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.956 1.41 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 125.021 1.45 . . . . 0.0 109.279 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.539 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' B' ' 3' ' ' SER . 67.8 m-20 61.26 -87.34 0.02 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.9 OUTLIER 154.59 -93.82 0.0 OUTLIER 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.993 1.433 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -15.26 61.9 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.988 1.43 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.0 m -70.05 -56.69 6.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.9 m -52.93 -44.64 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.422 ' HG ' HD12 ' A' ' 27' ' ' LEU . 48.1 t -50.4 -56.93 9.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.934 1.396 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -53.17 -38.16 62.53 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.018 1.449 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -56.71 -59.59 4.8 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.025 1.453 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.03 -54.2 21.79 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.001 1.438 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 32' ' ' PHE . 68.1 t -48.72 -62.24 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.99 1.432 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -39.83 -55.65 1.93 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.91 1.381 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.46 -56.96 5.96 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.056 1.473 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.458 ' CD2' HG21 ' B' ' 65' ' ' VAL . 72.7 t80 -50.14 -50.35 49.03 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 25.6 mt -53.52 -38.87 64.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -65.26 -42.39 93.3 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.002 1.439 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.81 ' CE1' HG21 ' B' ' 58' ' ' THR . 19.5 m-70 -61.34 -54.96 37.11 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.952 1.407 . . . . 0.0 109.342 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 19.5 m -56.79 -34.58 43.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 125.005 1.441 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HH21 ' B' ' 35' ' ' ARG . 24.7 mtt180 -67.93 -48.42 65.99 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.986 1.429 . . . . 0.0 109.355 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.413 ' HG3' HE21 ' B' ' 21' ' ' GLN . 0.0 OUTLIER -54.33 -37.06 64.45 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.413 HE21 ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -76.29 -31.81 58.44 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.1 t -59.97 -47.7 90.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 125.053 1.471 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.28 -41.94 50.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.954 1.409 . . . . 0.0 109.287 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.55 -28.95 65.97 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.004 1.44 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -93.18 21.31 6.04 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.032 1.457 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.6 pt-20 28.03 64.94 0.1 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.094 1.497 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.2 pp -130.51 -9.96 4.08 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.09 1.494 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.58 0.73 Allowed Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 12.6 t0 -131.19 -42.76 1.07 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.942 1.025 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.704 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.03 -41.35 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.05 -24.24 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.557 2.838 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' B' ' 22' ' ' VAL . 4.4 m-30 -69.16 -40.26 78.3 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.91 -49.21 21.03 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.009 1.443 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.52 -53.6 56.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.042 1.464 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.477 HH21 ' CZ ' ' B' ' 19' ' ' ARG . 5.8 mtp180 -57.37 -49.06 77.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.94 1.4 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.04 -38.64 73.48 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.077 1.486 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -59.19 -55.36 35.91 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.033 1.458 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -27.08 68.4 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.053 1.47 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.12 -29.02 61.62 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.051 1.469 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.484 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.36 -57.2 8.95 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.005 1.441 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.84 89.86 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.026 1.453 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -62.8 -44.14 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.45 . . . . 0.0 109.38 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.28 -61.6 2.03 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -40.65 -46.0 2.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.81 -52.57 47.36 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.9 mtt180 -56.42 -67.09 0.33 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.047 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.86 -62.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 47.4 t -40.67 -59.41 1.39 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.084 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -40.52 -56.1 2.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.999 1.437 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -63.4 -60.16 3.74 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.942 1.401 . . . . 0.0 109.354 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.13 26.38 16.42 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.66 -103.17 0.03 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.988 1.052 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.16 102.48 0.21 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.979 1.424 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -40.85 -45.49 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 0.0 109.371 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.65 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.21 -60.39 3.66 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.032 1.457 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.06 -62.19 1.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.011 1.445 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.75 -67.11 0.31 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.454 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.81 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -46.54 -29.85 1.97 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.014 1.447 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -60.8 -66.24 0.56 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.051 1.47 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -51.11 -43.69 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.132 1.52 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.13 -48.05 70.35 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -54.71 -32.99 60.38 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.937 1.022 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.1 -39.63 65.64 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.001 1.438 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -44.23 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' B' ' 14' ' ' PHE . 53.1 t -65.85 -49.61 76.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.962 1.414 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -29.33 64.14 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.965 1.416 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -69.07 -38.65 79.15 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.035 1.459 . . . . 0.0 109.368 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -29.39 17.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.969 1.418 . . . . 0.0 109.392 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.38 -40.4 67.3 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.87 1.356 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -24.56 61.48 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.041 1.463 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.85 -20.1 39.65 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.008 1.442 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.01 94.78 0.76 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.413 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.346 0.452 0 O-C-N 124.923 1.389 . . . . 0.0 109.31 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.533 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.84 -129.91 0.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -149.37 -102.35 0.07 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.32 -36.95 85.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.444 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -57.86 -46.37 84.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.027 1.454 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -46.28 19.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.967 1.417 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -61.4 -57.95 10.18 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.463 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.4 t -47.31 -41.27 18.87 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.978 1.424 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -59.42 -57.46 12.87 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.963 1.414 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -58.84 3.25 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.97 1.419 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -55.82 -32.82 33.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.989 1.43 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 -66.32 0.53 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.016 1.447 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 57' ' ' ALA . 18.0 p -50.17 -53.21 29.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 2.8 t80 -45.05 -62.84 1.08 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.036 1.46 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.29 -58.95 3.23 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.019 1.45 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 87.1 t90 -39.83 -59.09 1.24 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.97 1.419 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 43.4 m-70 -47.17 -57.32 5.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.57 -33.86 5.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.695 HH22 ' NE ' ' A' ' 35' ' ' ARG . 14.9 mtp180 -74.66 -43.98 52.61 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.02 1.45 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 28.6 tttm -54.76 -53.31 56.78 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.001 1.438 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.63 84.76 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.904 1.378 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -53.91 -49.68 57.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.005 1.441 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 33' ' ' LEU . 24.6 t -77.19 -33.49 20.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.041 1.463 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.88 -18.7 9.49 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.961 1.413 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -20.09 15.51 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.971 1.419 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.14 31.72 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.952 1.407 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' CD2' HD11 ' B' ' 68' ' ' ILE . 2.4 pp -92.53 -10.0 39.26 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.987 1.429 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.47 -140.76 0.06 OUTLIER Glycine 0 C--N 1.347 1.147 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 56.2 t0 -147.99 -40.69 0.17 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 125.012 1.066 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.738 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 167.67 -39.51 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.022 1.451 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.99 -24.53 12.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.541 2.828 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.3 m-30 -68.42 -42.83 78.39 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.031 1.457 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 23' ' ' VAL . 8.5 tt -73.07 -48.85 32.37 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.432 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -58.41 -49.59 76.73 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.022 1.451 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.695 ' NE ' HH22 ' A' ' 19' ' ' ARG . 17.5 mtp180 -58.73 -45.75 88.91 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.991 1.432 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.8 -32.38 70.58 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.021 1.451 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -66.55 -58.38 5.31 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.999 1.437 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -61.25 -27.68 68.63 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.84 -30.12 50.86 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.969 1.418 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.8 OUTLIER -61.45 -49.3 77.39 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.269 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -65.22 -58.23 6.49 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.991 1.432 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.45 -64.98 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 16' ' ' TRP . 5.2 tp -49.61 -55.47 13.5 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.031 1.457 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -56.19 2.99 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.96 1.412 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.4 -48.25 48.82 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -55.96 -66.9 0.35 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.948 1.028 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.44 -32.4 1.85 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -62.33 1.42 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.012 1.066 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -67.23 0.28 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.063 1.477 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.85 -47.21 80.89 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.15 71.77 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.0 mt -72.09 -105.23 0.01 OUTLIER 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.023 1.073 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.26 92.28 0.12 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.943 1.402 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -42.12 -39.65 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 O-C-N 124.979 1.425 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -61.08 -62.22 2.01 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.994 1.434 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.1 -56.38 12.97 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.036 1.46 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.07 -39.29 59.45 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.985 1.428 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -64.33 -38.65 91.79 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.96 1.412 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -68.17 -67.01 0.5 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.58 -44.4 19.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.97 1.419 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.8 93.9 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.17 64.12 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.947 1.027 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -35.11 59.2 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.03 1.457 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -41.61 92.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 125.025 1.453 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.8 p -72.57 -42.75 63.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.983 1.427 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.1 mt-10 -64.75 -28.6 69.7 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.445 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.03 -31.01 55.99 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.004 1.44 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' CD2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -77.06 -48.84 24.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.027 1.454 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.9 pp -66.6 -30.71 71.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.959 1.412 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -60.0 -33.33 71.83 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.921 1.388 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.94 -17.9 51.82 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.033 1.458 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.3 pt-20 -175.07 99.91 0.08 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.388 0 O-C-N 124.986 1.429 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.551 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.72 -130.4 0.1 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -150.38 -101.59 0.07 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.41 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.96 -37.62 88.26 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.007 1.442 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 85.9 m -55.67 -44.89 77.71 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -51.92 -47.89 40.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.418 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 3.2 m -60.46 -56.89 15.9 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.988 1.43 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.4 t -48.47 -41.09 28.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.08 1.487 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CE1' ' HG2' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.78 -55.9 28.49 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.024 1.453 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -57.38 4.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.429 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 20.9 t -57.66 -31.92 40.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -61.38 -66.73 0.49 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.019 1.449 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' B' ' 57' ' ' ALA . 17.8 p -48.32 -54.2 14.66 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.992 1.432 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 2.6 t80 -46.77 -56.9 5.46 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -46.31 -58.56 3.59 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.979 1.424 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.504 ' CH2' ' HD2' ' B' ' 20' ' ' LYS . 88.0 t90 -42.19 -57.54 2.48 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.983 1.427 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.85 -55.37 9.93 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.07 1.481 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -50.34 -33.36 10.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.457 . . . . 0.0 109.363 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.659 HH12 ' HE ' ' B' ' 35' ' ' ARG . 13.2 mtp180 -74.33 -44.67 51.48 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.99 1.431 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 28.6 tttm -53.79 -53.4 52.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.994 1.434 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -36.56 84.72 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.996 1.435 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.9 OUTLIER -54.26 -51.05 51.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' B' ' 33' ' ' LEU . 21.3 t -76.81 -30.95 18.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.918 1.386 . . . . 0.0 109.38 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.73 -20.25 7.99 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.023 1.452 . . . . 0.0 109.248 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.57 -20.77 14.33 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.003 1.44 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.18 32.2 0.77 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.983 1.427 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -87.98 -10.25 51.02 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.032 1.457 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.97 -140.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 40.9 t0 -150.67 -38.39 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.974 1.043 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.759 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.39 -39.23 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.003 1.439 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.759 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.99 -24.36 12.91 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.505 2.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' B' ' 22' ' ' VAL . 1.3 m-30 -69.49 -42.47 74.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.078 1.487 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' B' ' 23' ' ' VAL . 8.4 tt -73.04 -47.83 41.43 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.045 1.465 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.97 -48.6 81.05 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.987 1.429 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.659 ' HE ' HH12 ' B' ' 19' ' ' ARG . 19.4 mtp180 -58.7 -46.53 87.1 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.05 1.469 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.16 71.45 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.936 1.398 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.418 ' NE ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -65.24 -57.62 8.02 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.052 1.47 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -61.95 -27.06 68.57 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.926 1.391 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.94 -29.17 49.79 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.032 1.457 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -62.58 -48.28 80.16 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.43 -57.96 6.29 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 0.0 109.373 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -47.7 -63.72 0.98 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.9 tp -50.87 -56.43 12.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.027 1.454 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -56.57 2.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.007 1.442 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.42 -49.1 46.58 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.517 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -56.21 -66.92 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.049 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.61 -32.21 1.94 Allowed Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -62.07 1.53 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.0 1.059 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.36 -67.18 0.29 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.032 1.457 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.6 OUTLIER -57.21 -47.41 81.36 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.437 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.79 29.36 72.65 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.528 ' CD1' HD22 ' B' ' 50' ' ' LEU . 13.8 mt -73.53 -104.05 0.01 OUTLIER 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.939 1.023 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.85 93.65 0.18 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.944 1.402 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.0 -39.15 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.01 1.444 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -62.08 -60.54 3.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.055 1.472 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.41 17.76 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.438 ' CB ' ' SG ' ' B' ' 13' ' ' CYS . . . -54.56 -38.0 66.13 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.002 1.439 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 55' ' ' GLU . 1.0 OUTLIER -64.36 -37.16 86.53 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.037 1.46 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -67.71 -67.1 0.48 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.54 -45.0 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.952 1.407 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.81 -45.97 90.68 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.61 61.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.947 1.028 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -35.26 58.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.056 1.473 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.33 -41.04 90.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' B' ' 14' ' ' PHE . 7.3 p -72.64 -43.06 62.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.538 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -65.52 -30.09 70.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.059 1.474 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -77.11 -30.06 55.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.976 1.423 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.99 -47.76 26.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 1.8 pp -66.87 -31.12 71.52 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.942 1.401 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.83 -33.41 71.73 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 124.967 1.417 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.5 OUTLIER -79.92 -17.55 52.77 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.016 1.448 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.3 pt-20 -175.53 99.85 0.07 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.022 1.452 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.376 0 O-C-N 125.049 1.468 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.592 ' CE ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.568 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 3' ' ' SER . 68.9 m-20 52.14 -107.03 0.3 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.979 1.424 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 161.1 -91.63 0.0 OUTLIER 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.019 1.449 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.36 -22.76 61.1 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.023 1.452 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -64.61 -60.11 3.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.012 1.445 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.7 m -47.38 -46.2 9.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 O-C-N 124.977 1.423 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -49.63 -58.63 4.9 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.994 1.434 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.491 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 15.5 t -53.29 -37.37 62.15 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.02 1.45 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -61.93 -48.08 82.04 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.453 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -57.03 -62.57 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.926 1.391 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -49.05 -60.29 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -41.32 -56.42 2.45 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.989 1.43 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 1.6 m -47.42 -55.67 8.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 81.0 t80 -50.39 -44.47 54.91 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.072 1.483 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.1 mt -57.05 -40.95 77.81 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.074 1.483 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CZ2' ' NE2' ' A' ' 40' ' ' GLN . 66.5 t90 -62.09 -39.64 93.14 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.954 1.409 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.748 ' CE1' HG21 ' A' ' 58' ' ' THR . 21.0 m-70 -62.1 -57.22 12.4 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.904 1.378 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 15.6 m -55.73 -32.21 31.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 124.995 1.434 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 35' ' ' ARG . 65.2 mtt180 -66.74 -56.63 9.66 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.877 1.361 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -35.74 21.96 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -35.04 61.92 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.917 1.385 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.56 -46.94 86.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -75.65 -37.6 36.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.947 1.405 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.21 -31.55 63.59 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.043 1.464 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLU . 3.4 mt-30 -97.42 21.27 10.37 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.977 1.423 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' GLN . 9.9 pt-20 31.3 49.93 0.11 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.976 1.423 . . . . 0.0 109.347 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -102.22 -21.1 14.43 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.946 1.404 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.82 -166.58 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 12.3 t70 -136.96 -37.77 0.65 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.011 1.066 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.8 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.52 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.987 1.43 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.8 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -28.01 9.45 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.552 2.835 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 8' ' ' SER . 1.7 m-30 -69.79 -39.34 76.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.966 1.416 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.65 -49.76 29.67 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.967 1.417 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.75 -49.98 73.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.045 1.466 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.61 HH21 HH21 ' A' ' 19' ' ' ARG . 23.6 mtp85 -58.34 -48.29 81.04 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.95 -44.67 78.66 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.441 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -55.48 -54.51 42.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.982 1.426 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -27.64 69.53 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.004 1.44 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -72.37 -32.84 66.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.975 1.422 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.2 OUTLIER -68.73 -45.86 70.4 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.069 1.481 . . . . 0.0 109.363 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -47.83 72.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.991 1.432 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.45 -66.74 0.5 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.36 -61.73 1.55 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.037 1.461 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -42.44 -52.41 4.66 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.029 1.456 . . . . 0.0 109.236 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.77 -55.18 11.7 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 20.1 mtp180 -55.72 -58.04 9.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.998 1.058 . . . . 0.0 109.323 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.79 -39.71 1.97 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -73.81 -51.3 16.82 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.034 1.079 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -61.87 1.12 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.96 1.413 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.592 ' CD2' ' CE ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -72.65 -50.33 25.81 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.003 1.44 . . . . 0.0 109.236 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 20.45 41.03 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 9' ' ' PHE . 1.4 pp -71.73 -141.98 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.976 1.045 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -139.77 97.27 3.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.63 -38.36 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.08 -66.9 0.43 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -48.29 -54.37 13.99 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.012 1.445 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.08 -66.64 0.37 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.969 1.418 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.748 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -43.77 -31.57 0.85 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.922 1.389 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -63.76 -67.12 0.45 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.34 -42.8 21.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.967 1.417 . . . . 0.0 109.379 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -59.08 -48.77 84.29 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.95 -38.1 64.58 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.022 1.072 . . . . 0.0 109.373 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -37.17 66.58 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.027 1.455 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.06 -43.24 98.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.929 1.393 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 69' ' ' LEU . 37.4 t -65.97 -55.13 20.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.997 1.436 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -31.0 50.77 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.006 1.441 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 33.2 tttm -75.73 -26.69 57.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.001 1.438 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.99 -33.38 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.977 1.423 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -74.39 -27.47 60.65 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.951 1.407 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -69.27 -25.26 64.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.2 mt-10 -79.92 -23.18 41.94 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.006 1.441 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -167.56 96.05 0.46 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.041 1.463 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.38 0 O-C-N 124.989 1.431 . . . . 0.0 109.282 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.512 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 53.87 -111.25 0.6 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.005 1.441 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' B' ' 6' ' ' VAL . 0.8 OUTLIER 164.76 -90.9 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.967 1.417 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.14 -28.71 54.31 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.057 1.473 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -60.01 -56.46 21.43 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.957 1.411 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 6' ' ' VAL . 2.8 m -50.96 -47.28 30.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 O-C-N 124.955 1.41 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -49.28 -59.36 3.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.938 1.399 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 17.5 t -52.57 -38.06 59.21 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.061 1.476 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.5 OUTLIER -61.32 -49.11 78.3 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 124.979 1.424 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.539 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.3 OUTLIER -55.59 -62.01 1.97 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.968 1.417 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -49.16 -59.99 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.941 1.401 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -41.75 -55.71 2.91 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 1.6 m -47.92 -55.23 10.41 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' B' ' 62' ' ' LYS . 80.3 t80 -50.94 -44.19 60.29 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.028 1.455 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' HG22 ' B' ' 18' ' ' VAL . 8.8 mt -57.45 -40.57 78.75 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 124.958 1.411 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 65.2 t90 -62.25 -40.04 94.86 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.767 ' CE1' HG21 ' B' ' 58' ' ' THR . 21.0 m-70 -61.73 -57.03 13.54 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.026 1.454 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' B' ' 15' ' ' LEU . 15.8 m -55.8 -32.47 32.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.043 1.465 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 35' ' ' ARG . 62.5 mtt180 -66.75 -56.6 9.77 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.063 1.477 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -49.28 -36.18 19.96 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.04 1.462 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -75.15 -34.95 61.67 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.954 1.409 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -57.03 -47.11 84.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.456 . . . . 0.0 109.277 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.15 -37.35 32.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.941 1.4 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.94 -32.22 63.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.979 1.425 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.463 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.5 mt-30 -96.6 21.79 8.88 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.42 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' B' ' 25' ' ' GLN . 10.2 pt-20 31.49 49.65 0.11 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.974 1.422 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' B' ' 22' ' ' VAL . 0.8 OUTLIER -102.2 -21.63 14.34 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 0.0 109.348 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.23 -168.66 0.39 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 14.9 t70 -135.46 -37.06 0.77 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.976 1.045 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.767 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.94 -38.59 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.077 1.485 . . . . 0.0 109.299 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.767 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -74.93 -28.5 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.502 2.801 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 8' ' ' SER . 1.8 m-30 -69.45 -39.06 77.99 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.997 1.436 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.83 -49.93 27.23 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.968 1.418 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.8 -50.27 72.86 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.636 HH21 HH21 ' B' ' 19' ' ' ARG . 29.4 mtp85 -58.33 -47.65 83.04 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.982 1.426 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -56.08 -45.45 79.35 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.003 1.439 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -55.21 -54.19 46.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.037 1.461 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -27.81 69.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.074 1.484 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.43 -33.01 66.79 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.969 1.418 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.2 OUTLIER -68.77 -45.6 70.94 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.087 1.492 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -47.86 71.9 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.98 1.425 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -63.48 -66.66 0.51 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.038 1.461 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tp -45.21 -62.33 1.3 Allowed 'General case' 0 C--O 1.239 0.509 0 O-C-N 125.039 1.462 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' B' ' 40' ' ' GLN . 1.0 OUTLIER -42.13 -52.2 4.39 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.03 1.456 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.88 -54.54 13.87 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 18.7 mtp180 -56.68 -57.72 11.19 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.983 1.049 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.69 1.88 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -74.21 -51.98 13.8 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.98 1.047 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -61.44 1.25 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.963 1.414 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.4 ' CD2' ' CE ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -72.67 -50.35 25.53 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.021 1.45 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.12 20.9 40.62 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 9' ' ' PHE . 1.4 pp -71.53 -142.24 0.01 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.031 1.077 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' ' HB2' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -140.43 97.09 3.15 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.986 1.429 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' B' ' 54' ' ' ILE . 1.1 mp -43.42 -37.97 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 124.964 1.415 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.77 -66.92 0.42 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.974 1.421 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -49.62 -53.66 22.82 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.087 1.492 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.86 -66.78 0.35 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.991 1.432 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.767 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -44.68 -31.89 1.32 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.957 1.411 . . . . 0.0 109.298 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -64.03 -67.08 0.46 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.72 -44.24 19.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.064 1.478 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -58.22 -49.2 78.05 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.96 -38.0 61.69 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -37.25 66.15 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 125.048 1.468 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.96 -42.76 97.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 124.96 1.412 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' B' ' 69' ' ' LEU . 33.8 t -66.34 -55.29 19.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 125.02 1.45 . . . . 0.0 109.231 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.0 -30.99 49.59 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.038 1.461 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 33.1 tttm -75.82 -26.76 57.53 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.992 1.432 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.8 -33.17 25.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.045 1.466 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.28 -28.55 61.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.447 . . . . 0.0 109.322 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -68.3 -25.04 64.94 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.026 1.453 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 70' ' ' LYS . 1.2 mt-10 -80.12 -22.79 41.74 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.068 1.48 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -167.46 95.85 0.46 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.971 1.419 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.937 1.398 . . . . 0.0 109.263 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' SER . 12.0 m-20 67.54 -76.15 0.06 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.992 1.433 . . . . 0.0 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.96 -64.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.004 1.44 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -31.16 67.09 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.032 1.457 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' B' ' 29' ' ' ASP . 94.1 m -57.44 -65.29 0.65 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.985 1.428 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.37 -46.09 6.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.094 1.496 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t -48.13 -57.45 5.84 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.999 1.437 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -41.17 61.5 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.073 1.483 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -53.81 -59.32 4.78 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.878 1.361 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.04 -54.73 18.33 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.984 1.428 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -48.19 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.056 1.473 . . . . 0.0 109.233 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.56 -55.94 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.066 1.479 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -48.01 -56.65 7.18 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.054 1.471 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 84.7 t80 -51.37 -48.03 62.65 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.933 1.395 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.6 mt -53.46 -36.77 61.99 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.959 1.412 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -67.92 -41.1 83.14 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.067 1.479 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.673 ' CE1' HG21 ' A' ' 58' ' ' THR . 20.3 m-70 -62.34 -53.64 52.03 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.982 1.426 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 18.7 m -56.69 -38.54 58.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.022 1.451 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -63.71 -53.85 44.71 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.927 1.392 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -34.73 27.27 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -35.15 64.59 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.031 1.457 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.75 96.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.006 1.442 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 25' ' ' GLN . 2.6 t -75.03 -38.77 43.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -68.49 5.46 1.03 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' VAL . 2.2 mt-30 -125.46 19.93 8.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.953 1.408 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER 36.07 39.37 0.08 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.035 1.459 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.03 -14.3 14.57 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.014 1.446 . . . . 0.0 109.404 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.6 -157.54 0.17 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' B' ' 5' ' ' THR . 5.9 t0 -137.68 -48.55 0.57 Allowed 'General case' 0 C--O 1.239 0.502 0 O-C-N 124.974 1.044 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . 168.98 -42.01 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.068 1.48 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.0 -24.41 12.85 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.521 2.814 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.72 -42.63 81.65 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.979 1.425 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.8 -44.72 47.98 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 125.034 1.459 . . . . 0.0 109.23 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.13 -58.17 9.8 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.937 1.398 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -56.89 -46.85 81.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.075 1.484 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 tp -56.14 -42.02 76.29 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.951 1.407 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.54 -55.37 35.94 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.056 1.473 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -28.75 69.85 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.915 1.385 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.07 -32.66 67.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -60.82 -62.9 1.52 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -43.14 63.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.925 1.391 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -39.91 93.17 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.036 1.46 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.64 -55.42 20.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.26 -46.9 4.65 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.991 1.432 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.17 81.99 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 3.0 mtt180 -56.24 -66.98 0.34 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.047 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -47.4 -67.09 1.63 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -38.61 -60.57 0.8 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.072 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -39.32 -52.85 2.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.021 1.451 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.02 1.45 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 20.51 17.95 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.8 mt -74.28 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.027 1.075 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.62 101.01 0.09 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.003 1.439 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.7 mp -37.5 -46.14 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.96 1.412 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.53 -65.33 0.7 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.994 1.434 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.73 -60.71 2.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.439 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.3 -67.28 0.3 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.952 1.407 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -48.32 -29.93 4.39 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.311 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.19 -66.97 0.48 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.992 1.432 . . . . 0.0 109.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 t -48.91 -40.77 12.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.982 1.426 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.5 82.78 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.93 -35.09 44.58 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.993 1.055 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.76 -39.87 63.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.978 1.424 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -41.62 90.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.39 -48.73 71.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.059 1.474 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.13 65.77 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -68.92 -42.03 77.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.954 1.409 . . . . 0.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -27.42 16.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.953 1.408 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mt -73.66 -38.04 65.09 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.442 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -24.41 66.24 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.053 1.471 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.44 -20.4 40.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.942 1.401 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.0 94.99 0.68 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.903 1.377 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.375 0 O-C-N 124.956 1.41 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' B' ' 3' ' ' SER . 80.6 m-20 59.38 -91.63 0.03 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.956 1.41 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 155.7 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.966 1.416 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -32.51 67.23 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.068 1.48 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 99.7 m -56.04 -65.13 0.65 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.081 1.488 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 3.2 m -47.08 -46.75 8.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 O-C-N 125.012 1.445 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -47.45 -58.21 4.45 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.958 1.411 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -40.96 59.75 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.039 1.462 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -54.64 -59.77 4.25 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.047 1.467 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -49.08 -55.26 12.7 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.017 1.448 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.01 -63.15 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.45 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.59 -56.58 1.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.995 1.434 . . . . 0.0 109.211 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.518 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.0 OUTLIER -47.84 -57.46 5.62 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.005 1.441 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' B' ' 62' ' ' LYS . 81.9 t80 -50.4 -48.64 55.97 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.935 1.397 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.2 mt -52.62 -37.78 58.95 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.106 1.504 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' B' ' 36' ' ' LEU . 40.0 t90 -67.37 -40.32 85.72 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.047 1.467 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.707 ' CE1' HG21 ' B' ' 58' ' ' THR . 20.4 m-70 -62.47 -53.7 50.99 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.966 1.416 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 17.5 m -57.27 -37.63 57.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.911 1.382 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -64.22 -53.79 43.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -34.84 32.17 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -34.12 63.82 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.996 1.435 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.402 HG11 ' CD2' ' B' ' 32' ' ' PHE . 0.4 OUTLIER -61.84 -45.25 99.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.968 1.418 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 25' ' ' GLN . 2.9 t -75.08 -38.95 43.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 125.009 1.443 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.64 5.78 0.99 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.912 1.382 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' B' ' 23' ' ' VAL . 2.3 mt-30 -125.04 19.18 8.39 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.9 1.375 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 0.8 OUTLIER 36.99 38.75 0.1 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 125.045 1.466 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' B' ' 25' ' ' GLN . 0.3 OUTLIER -109.56 -11.46 14.78 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.997 1.436 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.2 -157.78 0.52 Allowed Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 5.8 t0 -136.94 -48.77 0.62 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.057 1.092 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.695 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 168.77 -41.96 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.015 1.447 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.2 Cg_endo -75.05 -24.0 13.17 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.449 2.766 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.402 ' CD2' HG11 ' B' ' 22' ' ' VAL . 3.7 m-30 -67.75 -42.86 81.13 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.014 1.446 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.91 -44.13 50.45 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.974 1.421 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -59.65 -58.56 8.05 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.7 -47.43 79.94 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' B' ' 16' ' ' TRP . 42.2 tp -56.32 -40.95 75.23 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.65 -55.65 32.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.945 1.403 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -30.35 71.15 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.033 1.458 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.36 -33.71 71.77 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.537 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.33 -63.6 1.24 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.959 1.412 . . . . 0.0 109.25 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -42.29 52.46 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -62.94 -40.63 98.23 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 125.024 1.453 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.08 -56.61 13.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.969 1.418 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -42.06 -47.98 4.59 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.002 1.439 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.48 87.9 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.4 mtt180 -56.71 -67.07 0.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.997 1.057 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.14 -63.43 4.6 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 35.6 t -38.79 -59.66 0.93 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.073 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.86 -51.95 2.4 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.98 1.425 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.4 HD22 ' HG ' ' B' ' 52' ' ' LEU . 0.8 OUTLIER -69.38 -61.77 1.65 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.99 1.431 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 20.85 20.4 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' B' ' 50' ' ' LEU . 44.5 mt -75.92 -103.85 0.01 OUTLIER 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.108 1.123 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.28 103.88 0.21 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.056 1.473 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.44 -45.37 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.01 1.444 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.637 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.06 -61.53 2.42 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.0 1.438 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.47 -61.98 1.46 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.064 1.477 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.63 -67.22 0.3 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.032 1.458 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.707 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.24 -29.75 2.61 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.004 1.44 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -62.34 -66.83 0.48 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.006 1.442 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -48.48 -40.76 10.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.993 1.433 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.39 -48.18 85.39 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.485 ' O ' ' CE ' ' B' ' 62' ' ' LYS . 0.0 OUTLIER -52.38 -34.47 48.01 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.007 1.063 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.95 -40.73 62.86 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.942 1.401 . . . . 0.0 109.294 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -41.44 88.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 124.978 1.424 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.27 -48.63 72.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.904 1.378 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -29.5 65.75 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.915 1.384 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -68.33 -42.49 79.26 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.941 1.4 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -27.08 16.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 125.01 1.444 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.7 -37.92 65.01 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.963 1.414 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -24.39 66.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.018 1.449 . . . . 0.0 109.246 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -20.48 40.17 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.463 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.84 95.1 0.7 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.982 1.426 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--N 1.345 0.408 0 O-C-N 124.961 1.413 . . . . 0.0 109.295 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.572 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 3' ' ' SER . 68.8 m-20 60.04 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.016 1.448 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 153.68 -95.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.014 1.446 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.14 -17.44 61.96 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.998 1.437 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 2' ' ' ASP . 92.4 m -69.52 -59.94 2.65 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.014 1.446 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 1' ' ' MET . 1.8 m -45.93 -44.22 4.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.044 1.465 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.4 t -50.51 -60.31 3.14 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.942 1.401 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.522 ' HA ' ' CZ ' ' B' ' 32' ' ' PHE . 47.4 t -49.52 -38.5 30.83 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.17 -59.28 5.55 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.038 1.461 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.21 -57.82 5.39 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.981 1.426 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.06 -59.43 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 124.939 1.4 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -40.6 -57.07 1.95 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.023 1.452 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -48.06 -56.67 7.19 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.425 . . . . 0.0 109.336 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CD2' HG21 ' A' ' 65' ' ' VAL . 79.2 t80 -49.14 -49.26 43.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.993 1.433 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.8 mt -52.29 -40.73 62.17 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.008 1.442 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CG ' HD22 ' A' ' 43' ' ' LEU . 78.2 t90 -64.38 -41.35 96.74 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 0.0 109.216 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.75 ' CE1' HG21 ' A' ' 58' ' ' THR . 22.3 m-70 -61.52 -54.94 36.65 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.062 1.476 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 17.3 m -57.58 -35.1 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.995 1.434 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -68.1 -43.3 78.76 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.051 1.469 . . . . 0.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -39.78 78.81 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.971 1.42 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.599 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -70.89 -35.03 72.15 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.988 1.43 . . . . 0.0 109.379 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 2.6 t -58.85 -57.93 9.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 0.0 109.281 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 23' ' ' VAL . 6.8 t -64.48 -35.52 74.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.976 1.422 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -56.18 -27.75 55.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.973 1.421 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.9 mt-30 -100.12 23.21 10.26 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.946 1.404 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.1 pt-20 29.28 48.64 0.04 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.036 1.46 . . . . 0.0 109.221 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.62 -18.83 18.69 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.296 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 32' ' ' PHE . . . -64.94 -153.27 0.11 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 26.8 t70 -143.95 -33.48 0.41 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.955 1.032 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.75 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 168.97 -39.14 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.612 0 O-C-N 125.041 1.463 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.4 Cg_endo -74.94 -17.39 19.74 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.507 2.805 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.7 m-30 -75.75 -42.06 51.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.073 1.483 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.39 -44.45 44.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.982 1.426 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.9 -54.59 43.15 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 125.01 1.444 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -58.64 -48.02 82.46 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.952 1.407 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 23' ' ' VAL . 33.5 tp -57.15 -40.48 77.31 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.78 -55.72 31.46 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.974 1.421 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -27.91 69.72 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.114 1.509 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.21 -33.12 69.61 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.075 1.484 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -62.85 -62.85 1.44 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.007 1.442 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -38.78 63.53 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.8 -43.01 94.56 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.921 1.388 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 16' ' ' TRP . 12.6 tp -64.59 -61.83 1.96 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.77 -49.24 4.35 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.947 1.404 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.03 82.97 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.9 mtt180 -57.56 -67.1 0.36 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.947 1.028 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.71 -67.13 1.51 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -39.36 -60.76 0.88 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.984 1.049 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.1 m -38.99 -53.5 1.75 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.022 1.451 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -68.76 -61.37 1.84 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.67 23.91 10.51 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 50' ' ' LEU . 55.7 mt -77.3 -103.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.0 1.059 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.53 99.64 0.07 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.967 1.417 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.5 mp -36.12 -47.09 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.991 1.432 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -61.41 -62.33 1.9 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.006 1.441 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -46.28 -61.3 1.84 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -67.25 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.978 1.424 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.75 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -48.54 -29.68 4.46 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.055 1.472 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -60.93 -66.83 0.47 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.29 -41.32 34.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 125.001 1.438 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.04 73.46 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -52.91 -35.63 58.51 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.052 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.15 -38.48 69.18 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.053 1.471 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -45.08 99.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.932 1.395 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 14' ' ' PHE . 55.3 t -64.97 -49.29 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.33 65.0 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.054 1.471 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -69.78 -34.77 74.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.329 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -29.85 17.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 124.958 1.411 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.81 -39.58 73.01 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 124.969 1.418 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -24.64 64.63 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.922 1.389 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 1.3 mt-10 -81.88 -19.81 40.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.037 1.461 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.51 94.86 0.72 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.935 1.397 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.399 0 O-C-N 124.964 1.415 . . . . 0.0 109.285 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.537 ' HB3' ' CG1' ' B' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.544 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' B' ' 3' ' ' SER . 69.7 m-20 60.24 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.029 1.456 . . . . 0.0 109.235 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 1.0 OUTLIER 153.89 -94.83 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -16.3 62.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' B' ' 2' ' ' ASP . 99.2 m -70.44 -60.59 2.18 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.021 1.451 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' B' ' 1' ' ' MET . 1.7 m -45.86 -43.74 4.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.99 1.431 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 33.9 t -50.58 -60.03 3.45 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 47.8 t -49.87 -38.73 36.7 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.047 1.467 . . . . 0.0 109.214 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.1 OUTLIER -58.31 -57.11 14.36 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.008 1.443 . . . . 0.0 109.242 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -49.81 -58.25 5.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.041 1.463 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.1 -59.42 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.024 1.452 . . . . 0.0 109.209 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -40.66 -57.66 1.82 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.005 1.44 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -47.2 -57.41 5.18 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.019 1.449 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' B' ' 65' ' ' VAL . 77.3 t80 -48.78 -49.15 40.0 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.033 1.458 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.6 mt -51.99 -41.19 61.99 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.063 1.477 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.406 ' CZ2' ' NE2' ' B' ' 40' ' ' GLN . 78.6 t90 -64.02 -40.72 96.97 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.053 1.47 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' B' ' 58' ' ' THR . 22.9 m-70 -61.76 -55.26 32.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.978 1.424 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.7 m -57.48 -35.07 48.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 O-C-N 124.93 1.394 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -66.93 -44.2 81.27 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.971 1.419 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -39.46 82.23 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.029 1.455 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.693 HE21 ' N ' ' B' ' 21' ' ' GLN . 0.0 OUTLIER -69.65 -34.14 73.59 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.998 1.436 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 2.8 t -61.51 -59.27 4.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.889 1.368 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.77 -35.16 66.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.39 -26.63 53.78 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.984 1.427 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' B' ' 26' ' ' GLU . 3.1 mt-30 -102.02 22.74 12.6 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.004 1.44 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.7 pt-20 29.47 48.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.976 1.422 . . . . 0.0 109.362 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.84 -18.47 19.52 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.916 1.385 . . . . 0.0 109.261 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' B' ' 32' ' ' PHE . . . -65.06 -152.78 0.1 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 25.5 t70 -144.08 -33.52 0.41 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.992 1.054 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.782 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 168.99 -38.72 0.0 OUTLIER Pre-proline 0 C--O 1.241 0.633 0 O-C-N 124.999 1.437 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.782 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.4 Cg_endo -75.02 -17.24 19.67 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.575 2.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.8 m-30 -75.84 -42.19 50.28 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.46 -44.19 45.52 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.968 1.418 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.03 -54.48 44.35 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.014 1.446 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 35' ' ' ARG . 3.9 mtp180 -58.69 -48.18 82.0 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.028 1.455 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.38 -40.11 77.46 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.031 1.457 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -59.13 -55.73 31.32 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.007 1.442 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -28.45 70.1 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.042 1.464 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -71.62 -32.63 68.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.029 1.455 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.515 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -62.7 -62.95 1.38 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.987 1.43 . . . . 0.0 109.276 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -39.0 64.96 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.076 1.485 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.71 -43.93 95.1 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.461 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' B' ' 16' ' ' TRP . 11.5 tp -64.09 -59.63 4.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.032 1.457 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.97 -49.02 4.65 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.79 -47.54 89.6 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 3.1 mtt180 -56.94 -67.06 0.35 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.992 1.054 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.34 -64.84 3.33 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -38.1 -60.38 0.76 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.048 1.087 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 1.1 m -39.35 -52.47 2.03 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.058 1.474 . . . . 0.0 109.239 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -61.57 1.73 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.078 1.486 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.7 24.24 12.42 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.99 -102.43 0.02 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.039 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.7 103.35 0.15 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.037 1.461 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.5 mp -39.76 -46.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.018 1.449 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.425 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -62.41 -59.95 4.25 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.005 1.441 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -45.98 -62.33 1.37 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.976 1.422 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.5 -67.13 0.31 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.091 1.494 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.765 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -47.79 -29.1 2.9 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.96 1.412 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -60.58 -66.47 0.52 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.434 . . . . 0.0 109.366 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 t -52.24 -41.83 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.981 1.426 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.37 79.42 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -53.32 -35.11 59.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.027 1.075 . . . . 0.0 109.314 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.33 -39.47 68.14 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.049 1.468 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.6 97.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.946 1.404 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' B' ' 14' ' ' PHE . 54.3 t -65.33 -49.36 79.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 O-C-N 124.983 1.427 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.51 63.7 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.053 1.47 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -70.24 -34.94 73.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.015 1.447 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.91 -29.66 17.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.041 1.463 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.18 -39.1 75.46 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.998 1.436 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HZ1' ' HA ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -60.28 -24.44 64.93 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.995 1.435 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.443 ' HA ' ' HZ1' ' B' ' 70' ' ' LYS . 1.6 mt-10 -81.68 -19.83 40.79 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.032 1.457 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.28 94.91 0.74 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.999 1.437 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.345 0.383 0 O-C-N 124.989 1.431 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' SER . 82.6 m-20 59.02 -94.51 0.05 OUTLIER 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.983 1.427 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 156.81 -90.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.936 1.398 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -25.06 59.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.974 1.421 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' OD1' ' B' ' 29' ' ' ASP . 29.2 m -57.77 -57.7 11.59 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.016 1.447 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 3' ' ' SER . 2.6 m -52.58 -46.84 49.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 124.944 1.403 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 t -50.09 -56.18 11.93 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -53.25 -36.48 61.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.962 1.414 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -58.35 -55.2 38.04 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.938 1.398 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -54.08 -58.6 6.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.432 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' B' ' 32' ' ' PHE . 24.9 t -47.34 -63.95 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -37.5 -56.54 1.0 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.96 1.412 . . . . 0.0 109.33 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.9 OUTLIER -47.44 -58.18 4.48 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.006 1.441 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.4 -46.69 56.42 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.022 1.451 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 10.0 mt -53.6 -40.89 66.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.974 1.421 . . . . 0.0 109.235 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.08 -40.55 96.5 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.059 1.475 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.755 ' CE1' HG21 ' A' ' 58' ' ' THR . 21.3 m-70 -61.29 -55.17 34.88 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.994 1.434 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 16.7 m -58.61 -33.95 50.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 68.9 mtt180 -62.38 -63.58 1.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.003 1.439 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.29 36.25 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.995 1.434 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 8.4 tp60 -67.3 -38.8 85.56 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.988 1.43 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -67.31 -46.58 83.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.99 1.431 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 66.5 t -64.38 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 124.967 1.417 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.4 -26.19 60.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.933 1.395 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' CB ' HD23 ' A' ' 27' ' ' LEU . 1.4 mt-30 -99.23 19.66 14.97 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.96 1.412 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.7 pt-20 28.87 52.56 0.07 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.942 1.401 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' CB ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -116.42 7.27 13.8 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.983 1.427 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.36 -154.09 5.21 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.555 ' OD1' HG23 ' B' ' 5' ' ' THR . 4.6 t70 -140.27 -42.63 0.42 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.936 1.021 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 167.38 -40.99 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.971 1.419 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -75.08 -22.61 14.51 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.561 2.841 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' B' ' 11' ' ' VAL . 7.0 m-30 -69.46 -41.21 76.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.983 1.427 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tp -75.55 -46.22 33.28 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.43 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.89 -53.09 61.97 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 125.036 1.46 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -59.06 -48.73 80.53 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.004 1.44 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -54.48 -44.36 72.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.996 1.435 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.62 -55.62 31.7 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.013 1.446 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -27.18 68.61 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.003 1.439 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.38 -35.59 71.12 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.07 1.481 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.26 -43.57 90.85 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 0.0 109.32 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -52.52 47.36 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.91 1.382 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 -66.99 0.42 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.045 1.466 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.64 -60.92 1.57 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.001 1.438 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.73 -52.4 2.96 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.38 27.03 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 9.6 mtp180 -53.83 -61.31 2.38 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.022 1.072 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.24 -43.25 4.57 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -65.32 -51.2 62.21 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.01 1.065 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -42.8 -72.97 0.05 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.019 1.45 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.76 -44.24 93.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.042 1.464 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.62 22.25 58.58 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -71.09 -129.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.977 1.045 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -150.66 101.32 2.92 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.984 1.428 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.63 -43.16 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.027 1.455 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.73 -66.96 0.43 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.922 1.389 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -43.62 -58.13 2.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.938 1.399 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.003 1.44 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.755 HG21 ' CE1' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.05 -28.92 0.77 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.959 1.412 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -65.37 -66.55 0.53 Allowed 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.987 1.43 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.11 -39.29 26.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 O-C-N 124.971 1.42 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 10' ' ' GLN . . . -61.95 -49.85 71.43 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -37.89 49.93 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.076 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -36.83 66.78 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.991 1.432 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.5 -43.66 98.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.924 1.39 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 44.2 t -66.81 -55.97 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.418 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -29.32 41.92 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.84 56.46 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.04 1.462 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mt -76.58 -33.72 22.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.004 1.44 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -74.28 -29.24 61.56 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.98 1.425 . . . . 0.0 109.362 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -66.37 -25.4 66.78 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.023 1.452 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 1.1 mt-10 -81.3 -23.05 38.13 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.977 1.423 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.46 95.8 0.46 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.085 1.491 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.345 0.385 0 O-C-N 124.985 1.428 . . . . 0.0 109.31 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' B' ' 3' ' ' SER . 76.9 m-20 49.8 -101.88 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.999 1.437 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.7 OUTLIER 158.88 -93.33 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.95 1.406 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -31.72 49.88 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.01 1.444 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' OD1' ' A' ' 29' ' ' ASP . 28.2 m -53.8 -54.64 35.48 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.956 1.41 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.52 -48.55 77.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -49.44 -54.95 14.95 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.067 1.479 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -53.35 -38.39 63.23 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.979 1.424 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -57.02 -55.05 39.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HB3' ' CA ' ' B' ' 61' ' ' GLY . 0.4 OUTLIER -53.6 -59.68 4.29 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.976 1.423 . . . . 0.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.479 HG11 ' CE2' ' A' ' 32' ' ' PHE . 21.6 t -46.5 -63.93 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 124.993 1.433 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -37.37 -56.87 0.95 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.001 1.438 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.9 OUTLIER -47.4 -58.15 4.49 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.007 1.442 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -50.3 -46.92 55.74 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.997 1.436 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 10.0 mt -53.39 -40.96 65.45 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.929 1.393 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -64.0 -40.42 96.31 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.981 1.426 . . . . 0.0 109.367 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.753 ' CE1' HG21 ' B' ' 58' ' ' THR . 20.9 m-70 -61.55 -55.33 32.05 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.025 1.453 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 16.6 m -58.27 -33.96 48.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 70.2 mtt180 -62.39 -63.66 1.16 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.042 1.464 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -30.97 30.81 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.978 1.424 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' B' ' 21' ' ' GLN . 7.9 tp60 -67.11 -39.68 86.72 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -46.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.97 1.419 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.98 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.943 1.402 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.53 -26.3 61.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.496 ' CB ' HD23 ' B' ' 27' ' ' LEU . 1.4 mt-30 -99.05 19.46 15.13 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.423 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.9 pt-20 28.79 53.09 0.08 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.986 1.429 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' B' ' 25' ' ' GLN . 0.5 OUTLIER -116.65 6.03 13.31 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.96 1.413 . . . . 0.0 109.329 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.73 -156.46 5.09 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 5' ' ' THR . 4.8 t70 -137.95 -42.57 0.53 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.06 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 167.53 -41.16 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.958 1.411 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.1 Cg_endo -74.94 -22.71 14.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.454 2.77 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 11' ' ' VAL . 6.8 m-30 -69.64 -41.09 76.07 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.958 1.411 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.36 -46.33 33.78 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.013 1.446 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.91 -53.06 62.27 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.028 1.455 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -58.71 -49.33 77.99 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.27 -44.29 71.72 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.0 1.438 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -56.23 -55.39 33.81 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.986 1.429 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -27.12 68.88 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.93 1.394 . . . . 0.0 109.367 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.31 -35.05 71.13 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.933 1.396 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.1 OUTLIER -65.75 -43.6 88.43 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.067 1.479 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -52.19 48.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.042 1.464 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -59.9 -66.97 0.43 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.98 1.425 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.78 -61.3 1.47 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.961 1.413 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -40.56 -52.51 2.83 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.0 1.438 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.99 -55.43 21.25 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 mtp180 -52.99 -60.82 2.8 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.082 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.07 -44.15 4.66 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -64.95 -51.23 62.9 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.939 1.023 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.526 HG22 ' N ' ' B' ' 50' ' ' LEU . 0.9 OUTLIER -42.79 -72.88 0.05 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.038 1.461 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.526 ' N ' HG22 ' B' ' 49' ' ' THR . 0.2 OUTLIER -59.32 -44.53 92.58 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.975 1.422 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.86 21.97 58.58 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 53' ' ' ASN . 1.1 pp -71.27 -129.79 0.0 OUTLIER 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.996 1.056 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.452 ' N ' ' CD1' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -149.98 101.35 3.02 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.019 1.449 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.64 -43.07 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.457 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.96 -66.97 0.43 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -43.43 -58.17 2.72 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.044 1.465 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.34 -67.16 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.935 1.397 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.753 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.5 OUTLIER -45.3 -28.53 0.84 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.038 1.461 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.465 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -65.41 -66.41 0.55 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.972 1.42 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.52 -38.73 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.978 1.424 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' B' ' 10' ' ' GLN . . . -62.03 -50.24 67.44 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -38.54 49.33 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 125.035 1.079 . . . . 0.0 109.342 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -36.53 67.05 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.076 1.485 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.61 -43.75 98.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 44.5 t -66.68 -56.07 15.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.22 42.04 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.101 1.5 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' B' ' 70' ' ' LYS . 33.6 tttm -76.23 -26.8 56.41 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.034 1.459 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.73 -33.65 22.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.97 1.418 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -74.1 -29.87 62.06 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.958 1.412 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -65.89 -25.3 67.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.049 1.468 . . . . 0.0 109.306 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.22 -22.97 38.4 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.06 1.475 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -167.01 95.44 0.49 Allowed 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.92 1.387 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.006 1.441 . . . . 0.0 109.323 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.536 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.13 -129.77 0.12 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.045 1.466 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -149.25 -102.78 0.08 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.988 1.43 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.12 -31.25 72.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.98 1.425 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.822 HG23 ' OD2' ' B' ' 29' ' ' ASP . 19.6 m -62.1 -54.08 46.35 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.014 1.447 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.54 -46.33 7.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.007 1.442 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -58.47 8.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.044 1.465 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 1.9 t -47.41 -41.48 20.19 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.043 1.464 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CZ ' ' CG ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.63 -59.47 5.34 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.95 1.406 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -59.26 2.65 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.003 1.439 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.01 -37.34 34.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.072 1.483 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.77 -66.93 0.44 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 14' ' ' PHE . 14.1 p -47.85 -52.7 18.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.038 1.461 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 65' ' ' VAL . 1.6 t80 -46.77 -62.45 1.39 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.036 1.46 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -43.82 -60.26 1.89 Allowed 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.094 1.496 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CH2' ' HD2' ' A' ' 20' ' ' LYS . 86.2 t90 -38.62 -60.16 0.85 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.979 1.425 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' OG1' ' A' ' 58' ' ' THR . 39.5 m-70 -46.93 -54.79 9.28 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.059 1.475 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -51.22 -34.94 15.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.977 1.423 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.688 HH22 ' NE ' ' A' ' 35' ' ' ARG . 29.1 mtp180 -71.04 -58.9 3.11 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 16' ' ' TRP . 30.1 tttm -45.37 -43.12 10.75 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.034 1.459 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -42.36 83.93 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.911 1.382 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 32' ' ' PHE . 1.1 t -57.22 -45.68 84.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.057 1.473 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 33' ' ' LEU . 14.1 t -74.51 -31.15 26.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 125.037 1.46 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.13 -18.39 5.57 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.023 1.452 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -18.12 14.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.87 34.14 0.72 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 0.0 109.254 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.98 -8.4 49.31 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.052 1.47 . . . . 0.0 109.366 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -149.92 0.16 Allowed Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.835 ' OD2' HG23 ' B' ' 5' ' ' THR . 43.9 t0 -136.59 -32.36 0.83 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.009 1.064 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 157.31 -38.19 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.891 1.369 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.95 -23.69 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 22' ' ' VAL . 2.8 m-30 -68.84 -43.65 75.05 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.044 1.465 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 9.7 tt -72.83 -47.66 44.44 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.989 1.431 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.35 -49.2 78.72 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.941 1.401 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.688 ' NE ' HH22 ' A' ' 19' ' ' ARG . 11.7 mtp180 -60.53 -42.26 96.12 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.028 1.455 . . . . 0.0 109.327 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.13 -34.88 75.69 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 125.044 1.465 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NE ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.95 -58.62 5.13 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.914 1.384 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -60.82 -27.34 67.98 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.01 1.444 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.88 -30.42 50.81 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.961 1.413 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.3 OUTLIER -60.81 -49.04 79.09 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.994 1.434 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -66.1 -58.37 5.6 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 125.025 1.453 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -49.09 -65.07 0.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.947 1.405 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.88 -55.36 14.64 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.971 1.419 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -57.23 2.41 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.38 -47.63 50.32 Favored Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' CG ' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -53.88 -66.95 0.3 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.912 1.007 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.97 -31.85 2.98 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -65.53 0.68 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.066 1.098 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.48 -67.46 0.27 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -54.55 -46.15 73.59 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.995 1.434 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.25 71.63 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD1' HD22 ' A' ' 50' ' ' LEU . 15.5 mt -72.11 -106.54 0.01 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.063 1.096 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.39 92.91 0.08 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.016 1.447 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.67 -40.8 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.1 mt-10 -60.57 -63.57 1.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.948 1.405 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.9 -56.8 7.71 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.996 1.435 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' CB ' ' SG ' ' A' ' 13' ' ' CYS . . . -52.28 -39.29 60.28 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -64.03 -37.34 87.06 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.004 1.44 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -68.05 -67.06 0.49 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.033 1.458 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.29 -46.88 14.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.003 1.439 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.32 -45.09 89.32 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' HZ3' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -54.98 -35.36 64.24 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 124.921 1.012 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -35.66 59.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.976 1.423 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -42.4 94.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.97 1.418 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 14' ' ' PHE . 7.5 p -71.39 -44.49 71.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.006 1.442 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 mt-10 -64.55 -28.21 69.48 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.025 1.453 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -73.87 -33.56 64.12 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.0 1.438 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -48.94 24.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 124.989 1.431 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 2.4 pp -67.21 -29.82 69.58 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.003 1.439 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 4.7 ttpp -60.84 -32.75 72.14 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.045 1.465 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -79.79 -18.84 50.0 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.042 1.464 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' SER . 6.1 pt-20 -174.44 99.88 0.09 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.345 0.412 0 O-C-N 124.946 1.404 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.53 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.02 -130.89 0.11 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -151.82 -101.43 0.06 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.3 -32.4 74.04 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.006 1.441 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.835 HG23 ' OD2' ' A' ' 29' ' ' ASP . 23.7 m -60.81 -53.35 58.43 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.991 1.432 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 7' ' ' SER . 0.4 OUTLIER -46.85 -47.14 8.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.416 ' N ' ' CG1' ' B' ' 6' ' ' VAL . 1.0 OUTLIER -57.29 -58.77 6.8 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 0.0 109.268 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.486 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 1.9 t -47.52 -40.33 18.44 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.945 1.403 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.549 ' CZ ' ' CG ' ' B' ' 46' ' ' ARG . 0.6 OUTLIER -59.02 -59.34 5.62 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.949 1.406 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -57.82 3.99 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.979 1.424 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.87 -36.15 36.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 124.949 1.405 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.17 -67.05 0.45 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.025 1.453 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' B' ' 14' ' ' PHE . 13.4 p -45.04 -53.45 7.82 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.961 1.413 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' B' ' 13' ' ' CYS . 1.6 t80 -46.93 -58.53 3.86 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.933 1.396 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -46.01 -59.58 2.77 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.46 ' CG ' HD22 ' B' ' 43' ' ' LEU . 85.5 t90 -39.85 -58.67 1.33 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.998 1.436 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.433 ' CD2' ' OG1' ' B' ' 58' ' ' THR . 37.0 m-70 -47.51 -51.91 19.08 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.949 1.405 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -55.2 -34.13 32.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.015 1.447 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.599 HH22 ' HE ' ' B' ' 35' ' ' ARG . 27.2 mtp180 -70.87 -58.26 3.78 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 124.999 1.437 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HD2' ' CH2' ' B' ' 16' ' ' TRP . 29.9 tttm -44.5 -44.54 8.68 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.969 1.418 . . . . 0.0 109.243 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -41.56 81.99 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.015 1.447 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -54.31 -46.39 68.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.991 1.432 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.54 ' CG1' HD12 ' B' ' 33' ' ' LEU . 5.6 t -76.47 -32.27 21.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.978 1.424 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -54.77 -19.39 6.25 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.058 1.474 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -18.73 13.93 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 124.979 1.425 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.2 34.94 0.98 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.047 1.467 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.36 -9.0 49.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.98 1.425 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -149.64 0.18 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.822 ' OD2' HG23 ' A' ' 5' ' ' THR . 44.8 t0 -137.71 -31.42 0.79 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.017 1.069 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' N ' ' CD ' ' B' ' 31' ' ' PRO . . . 157.54 -38.24 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.989 1.431 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' B' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 -25.45 11.9 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.499 2.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.537 ' CD2' HG11 ' B' ' 22' ' ' VAL . 2.0 m-30 -69.85 -40.58 75.7 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.938 1.399 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.54 HD12 ' CG1' ' B' ' 23' ' ' VAL . 10.5 tt -73.3 -48.32 35.52 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.989 1.43 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -60.69 -48.91 79.68 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.426 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.599 ' HE ' HH22 ' B' ' 19' ' ' ARG . 18.0 mtp180 -59.66 -43.17 94.04 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.074 1.484 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.64 -35.81 77.11 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.081 1.488 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.441 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -64.69 -57.71 8.26 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.024 1.453 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -61.65 -26.86 68.27 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.021 1.451 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -30.7 51.4 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.975 1.422 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.4 OUTLIER -61.08 -48.59 81.0 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.936 1.397 . . . . 0.0 109.231 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.55 ' CG ' ' N ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -66.34 -58.45 5.29 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.006 1.441 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -48.5 -64.44 0.8 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.988 1.43 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' B' ' 16' ' ' TRP . 5.7 tp -50.94 -55.39 17.46 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.037 1.46 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.4 -58.01 2.0 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.24 -47.82 49.01 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.549 ' CG ' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -52.77 -66.84 0.31 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.032 1.077 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.45 -30.96 4.67 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -66.09 0.61 Allowed 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.986 1.05 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.49 -66.65 0.34 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.963 1.414 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.14 -46.91 72.34 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.855 1.347 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.18 27.65 72.59 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' B' ' 50' ' ' LEU . 14.7 mt -72.99 -106.01 0.01 OUTLIER 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.987 1.051 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.38 93.53 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.003 1.439 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -42.25 -40.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.429 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.1 mt-10 -61.47 -62.43 1.83 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.893 1.371 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.29 9.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.948 1.405 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.74 64.93 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.922 1.389 . . . . 0.0 109.237 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' B' ' 17' ' ' HIS . 1.0 OUTLIER -64.06 -36.73 84.95 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.028 1.455 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -67.05 -67.1 0.48 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.002 1.439 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.33 -47.41 14.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.959 1.412 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.6 -45.93 83.22 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -35.29 63.12 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.046 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.15 59.23 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.993 1.433 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -41.78 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' B' ' 14' ' ' PHE . 7.1 p -71.86 -44.91 67.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.029 1.455 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' B' ' 69' ' ' LEU . 3.2 mt-10 -64.73 -28.31 69.5 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.02 1.45 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.054 1.471 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -48.92 23.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 66' ' ' GLU . 2.2 pp -66.89 -30.06 70.12 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.977 1.423 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' B' ' 66' ' ' GLU . 5.0 ttpp -60.7 -33.01 72.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.071 1.482 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.6 OUTLIER -79.76 -18.28 51.45 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.971 1.419 . . . . 0.0 109.307 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' B' ' 73' ' ' SER . 6.0 pt-20 -175.01 99.87 0.08 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m . . . . . 0 C--N 1.344 0.352 0 O-C-N 125.051 1.469 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.528 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' SER . 19.2 m-20 65.67 -79.32 0.03 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.079 1.487 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 155.9 -53.63 0.0 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.9 1.375 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.88 -23.97 60.79 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.022 1.451 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -61.22 1.92 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.952 1.407 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 3' ' ' SER . 3.2 m -42.76 -44.33 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -53.78 -60.79 2.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.976 1.422 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' B' ' 32' ' ' PHE . 0.2 OUTLIER -48.48 -36.62 15.5 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -59.12 -59.44 5.47 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.043 1.465 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.37 -59.89 3.54 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.031 1.457 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.68 -64.97 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -37.73 -57.59 0.97 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -45.79 -56.76 4.94 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 125.002 1.439 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 65' ' ' VAL . 84.7 t80 -49.62 -49.59 46.3 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.985 1.428 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 9.9 mt -51.77 -39.73 59.1 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.068 1.48 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -65.94 -42.12 90.44 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.06 1.475 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.714 ' CE1' HG21 ' A' ' 58' ' ' THR . 22.8 m-70 -61.51 -53.07 61.25 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.441 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' LEU . 19.3 m -58.46 -35.22 53.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.985 1.428 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -66.04 -51.63 56.48 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -35.43 60.21 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.959 1.412 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.41 64.48 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.032 1.458 . . . . 0.0 109.261 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 32' ' ' PHE . 1.3 t -62.61 -54.06 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 125.001 1.438 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 25' ' ' GLN . 3.1 t -65.26 -39.2 84.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.019 1.449 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.15 12.07 0.35 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.994 1.433 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 23' ' ' VAL . 1.7 mt-30 -122.5 23.07 9.78 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.992 1.433 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER 34.66 41.38 0.06 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.036 1.46 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 25' ' ' GLN . 1.4 pp -110.7 -20.34 12.54 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.991 1.432 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -165.85 1.38 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.3 t70 -138.02 -40.58 0.54 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.961 1.036 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . 169.03 -39.94 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 O-C-N 125.018 1.449 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -75.01 -19.15 18.09 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.476 2.784 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' CG1' ' A' ' 22' ' ' VAL . 1.2 m-30 -73.58 -43.85 58.77 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.946 1.404 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.78 -40.77 60.97 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.059 1.474 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.1 -56.92 15.68 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.98 1.425 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -57.94 -49.58 76.28 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.052 1.47 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.16 -38.83 68.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.038 1.461 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.66 -57.37 13.01 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.994 1.434 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.3 68.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.856 1.347 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.56 -35.54 73.14 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.998 1.437 . . . . 0.0 109.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' A' ' 40' ' ' GLN . 0.0 OUTLIER -61.86 -61.14 2.71 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.275 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.22 58.49 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.998 1.436 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -64.83 -42.65 94.78 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.036 1.46 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.57 -58.6 7.46 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.025 1.453 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -49.4 4.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.016 1.447 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.11 92.6 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . 2.4 mtt180 -58.87 -67.05 0.4 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.071 1.101 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.93 -66.82 1.2 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -41.87 -61.02 1.21 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.07 1.1 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -37.46 -44.65 0.66 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.956 1.41 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -79.96 -66.07 0.92 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.98 1.425 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.69 18.63 12.34 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 50' ' ' LEU . 57.1 mt -73.28 -103.92 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.943 1.025 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.12 98.54 0.06 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.013 1.446 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' O ' ' HB ' ' A' ' 58' ' ' THR . 1.2 mp -36.09 -46.37 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.915 1.384 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 58' ' ' THR . 1.1 tt0 -60.77 -63.29 1.35 Allowed 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.993 1.433 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' HIS . . . -47.28 -61.19 2.02 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.067 1.479 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.73 -67.19 0.3 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.969 1.418 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.714 HG21 ' CE1' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -47.56 -28.59 2.35 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.044 1.465 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -62.84 -66.54 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.067 1.479 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.3 t -48.92 -43.31 14.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 125.062 1.476 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.83 70.7 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.08 -34.47 43.99 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.936 1.021 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.44 64.06 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.033 1.458 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.52 97.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 124.958 1.411 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 14' ' ' PHE . 25.1 t -65.89 -53.08 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.91 1.381 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -53.01 -31.74 42.78 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.018 1.449 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 27.3 tttm -75.52 -27.18 58.62 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.23 -32.94 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.943 1.402 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.83 -39.31 76.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.33 -25.14 61.57 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.63 -20.45 36.3 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.953 1.408 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.87 94.88 0.69 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.454 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.392 0 O-C-N 124.977 1.423 . . . . 0.0 109.315 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 3' ' ' SER . 44.2 m-20 63.48 -82.94 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.032 1.457 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' B' ' 2' ' ' ASP . 0.6 OUTLIER 156.22 -59.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.929 1.393 . . . . 0.0 109.354 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.0 -24.53 60.77 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.017 1.448 . . . . 0.0 109.214 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -61.1 2.03 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.009 1.443 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 3' ' ' SER . 3.2 m -43.2 -44.53 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.067 1.48 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t -53.08 -60.36 3.38 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.984 1.427 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -48.8 -37.1 18.23 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.959 1.412 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -58.82 -56.12 26.3 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.944 1.402 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -59.68 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.047 1.467 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.75 -64.63 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 124.993 1.433 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -37.33 -58.42 0.83 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.041 1.463 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' B' ' 58' ' ' THR . 0.1 OUTLIER -45.65 -57.12 4.46 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.082 1.489 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' B' ' 65' ' ' VAL . 83.0 t80 -49.2 -49.94 40.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.969 1.418 . . . . 0.0 109.305 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 9.7 mt -51.34 -40.28 58.76 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.995 1.434 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -65.61 -41.36 92.82 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.742 ' CE1' HG21 ' B' ' 58' ' ' THR . 21.8 m-70 -61.88 -53.47 55.29 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.993 1.433 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' B' ' 15' ' ' LEU . 18.3 m -58.37 -34.59 50.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.971 1.419 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -66.4 -52.45 46.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -35.35 57.3 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 125.001 1.438 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -33.45 64.45 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.078 1.486 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' B' ' 32' ' ' PHE . 1.2 t -62.88 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 125.002 1.439 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 25' ' ' GLN . 3.0 t -65.32 -39.0 83.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 124.978 1.424 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.2 12.01 0.36 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' B' ' 23' ' ' VAL . 1.6 mt-30 -122.41 23.11 9.83 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.99 1.431 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER 34.64 41.47 0.06 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.958 1.411 . . . . 0.0 109.257 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' B' ' 25' ' ' GLN . 1.5 pp -110.73 -20.06 12.64 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.924 1.39 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.26 -165.77 1.35 Allowed Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 4.4 t70 -138.38 -40.4 0.52 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.998 1.058 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.747 ' H ' ' HD2' ' B' ' 31' ' ' PRO . . . 169.01 -39.89 0.0 OUTLIER Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.0 1.438 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.747 ' HD2' ' H ' ' B' ' 30' ' ' ALA . 18.5 Cg_endo -74.92 -19.38 18.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.473 2.782 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.554 ' CD2' ' CG1' ' B' ' 22' ' ' VAL . 1.3 m-30 -73.68 -43.49 59.23 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.059 1.474 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 tp -74.77 -40.96 60.89 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.029 1.456 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -60.01 -56.86 16.49 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.967 1.417 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -58.11 -49.47 76.86 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.992 1.433 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.27 -38.76 68.98 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.78 -57.28 13.35 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -29.44 69.0 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.053 1.471 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -70.29 -35.64 73.84 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.011 1.444 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' B' ' 40' ' ' GLN . 0.0 OUTLIER -60.94 -62.28 1.97 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.918 1.387 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.38 53.17 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.043 1.464 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -43.86 95.94 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.058 1.474 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.15 -56.68 18.04 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.011 1.444 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -49.36 4.89 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.938 1.399 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.78 -46.72 93.94 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.484 ' HB3' ' CZ ' ' B' ' 9' ' ' PHE . 2.6 mtt180 -58.43 -67.11 0.39 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.969 1.041 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -46.03 -64.96 2.23 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -41.43 -61.05 1.12 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.926 1.015 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -37.36 -43.79 0.58 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' B' ' 9' ' ' PHE . 0.8 OUTLIER -80.67 -66.3 0.9 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.921 1.388 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.91 19.34 15.33 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -75.42 -102.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.026 1.074 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.81 102.39 0.14 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.091 1.495 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.419 ' O ' ' HB ' ' B' ' 58' ' ' THR . 1.2 mp -39.75 -45.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.962 1.414 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.622 ' O ' HG22 ' B' ' 58' ' ' THR . 1.1 tt0 -61.46 -61.13 2.75 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.011 1.444 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 59' ' ' HIS . . . -46.64 -62.16 1.5 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.74 -67.12 0.31 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.928 1.393 . . . . 0.0 109.339 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.742 HG21 ' CE1' ' B' ' 17' ' ' HIS . 0.7 OUTLIER -47.03 -28.99 1.87 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.973 1.421 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' B' ' 56' ' ' ALA . 0.4 OUTLIER -62.26 -66.6 0.52 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.028 1.455 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -49.07 -43.58 15.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.982 1.426 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.35 -48.3 76.48 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -52.4 -34.36 47.83 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.987 1.051 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.51 -40.76 63.81 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 125.019 1.449 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -44.15 96.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.978 1.424 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' B' ' 14' ' ' PHE . 25.0 t -65.88 -52.99 42.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.008 1.442 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -53.02 -31.91 43.75 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.969 1.418 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' B' ' 70' ' ' LYS . 27.3 tttm -75.31 -27.22 59.22 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.07 1.482 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.14 -33.0 27.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.978 1.424 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' B' ' 65' ' ' VAL . 0.2 OUTLIER -69.62 -39.46 77.16 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.025 1.453 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' B' ' 67' ' ' LYS . 0.0 OUTLIER -58.19 -25.04 61.1 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.018 1.449 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.53 -20.7 36.15 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.913 1.383 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.45 94.71 0.72 Allowed 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.931 1.394 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.989 1.431 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 stop_ save_